3,5-bis(3-methylpentan-3-yl)-20'-propan-2-ylspiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.021,26]octacosane]

C48H82 — CID 168816571

IUPAC3,5-bis(3-methylpentan-3-yl)-20'-propan-2-ylspiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.021,26]octacosane]
SMILESCCC(C)(CC)C1CC(C(C)(CC)CC)CC2(C1)C1CC3CCCCC3CC1C1C3CC4C5CCCCC5C(C(C)C)CC4C3CCC12
InChIInChI=1S/C48H82/c1-9-46(7,10-2)33-25-34(47(8,11-3)12-4)29-48(28-33)43-22-21-37-39-26-38(30(5)6)35-19-15-16-20-36(35)40(39)27-41(37)45(43)42-23-31-17-13-14-18-32(31)24-44(42)48/h30-45H,9-29H2,1-8H3
InChIKeyUFHIBOBPVYTEDK-UHFFFAOYSA-N
MW659.18 g/mol
LogP14.26
Rot. Bonds7

About 3,5-bis(3-methylpentan-3-yl)-20'-propan-2-ylspiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.021,26]octacosane]

3,5-bis(3-methylpentan-3-yl)-20'-propan-2-ylspiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.021,26]octacosane] (PubChem CID 168816571) has the molecular formula C48H82 and a molecular weight of 659.18 g/mol. Its IUPAC name is 3,5-bis(3-methylpentan-3-yl)-20'-propan-2-ylspiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.021,26]octacosane].

Molecular Properties

Compound Name3,5-bis(3-methylpentan-3-yl)-20'-propan-2-ylspiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.021,26]octacosane]
PubChem CID168816571
Molecular FormulaC48H82
Molecular Weight659.18 g/mol
Exact Mass658.64
IUPAC Name3,5-bis(3-methylpentan-3-yl)-20'-propan-2-ylspiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.021,26]octacosane]
SMILESCCC(C)(CC)C1CC(C(C)(CC)CC)CC2(C1)C1CC3CCCCC3CC1C1C3CC4C5CCCCC5C(C(C)C)CC4C3CCC12
InChIInChI=1S/C48H82/c1-9-46(7,10-2)33-25-34(47(8,11-3)12-4)29-48(28-33)43-22-21-37-39-26-38(30(5)6)35-19-15-16-20-36(35)40(39)27-41(37)45(43)42-23-31-17-13-14-18-32(31)24-44(42)48/h30-45H,9-29H2,1-8H3
InChIKeyUFHIBOBPVYTEDK-UHFFFAOYSA-N
XLogP14.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.18
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,5-bis(3-methylpentan-3-yl)-20'-propan-2-ylspiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.021,26]octacosane] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

22'-tert-butyl-3,5-bis(3-methylpentan-3-yl)spiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosane]
CID 168817062
13',13'-dimethyl-3,5-bis(3-methylpentan-3-yl)spiro[cyclohexane-1,18'-heptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosane]
CID 168816965
15',18',18'-trimethyl-3,5-bis(3-methylpentan-3-yl)spiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosane]
CID 168816899
11'-(2,2-dimethylpropyl)-3,5-di(pentan-3-yl)spiro[cyclohexane-1,18'-heptacyclo[15.11.0.02,14.03,12.04,9.019,28.021,26]octacosane]
CID 168816850
3,5-di(pentan-3-yl)-2,10'-di(propan-2-yl)spiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.020,25]octacosane]
CID 168816620
8'-(2,2-dimethylpropyl)-4-methyl-3,5-di(pentan-3-yl)spiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.021,26]octacosane]
CID 168816781
3,5-di(pentan-3-yl)-2,10'-di(propan-2-yl)spiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.04,9.019,28.020,25]octacosane]
CID 168816886
3,5-di(pentan-3-yl)-2,10',15'-tri(propan-2-yl)spiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.020,25]octacosane]
CID 168816674
2-cyclohexyl-3,5,15'-trimethyl-5'-propan-2-ylspiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.06,11.018,27.020,25]octacosane]
CID 168816964
3,5,5',7'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosane]
CID 168816168
hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosane
CID 162283113
3-methylpentan-3-ylcycloundecane
CID 123467319

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(3-methylpentan-3-yl)-20'-propan-2-ylspiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.021,26]octacosane]?
The IUPAC name of 3,5-bis(3-methylpentan-3-yl)-20'-propan-2-ylspiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.021,26]octacosane] (CID 168816571) is 3,5-bis(3-methylpentan-3-yl)-20'-propan-2-ylspiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.021,26]octacosane].
What is the SMILES notation for 3,5-bis(3-methylpentan-3-yl)-20'-propan-2-ylspiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.021,26]octacosane]?
The canonical SMILES for 3,5-bis(3-methylpentan-3-yl)-20'-propan-2-ylspiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.021,26]octacosane] is CCC(C)(CC)C1CC(C(C)(CC)CC)CC2(C1)C1CC3CCCCC3CC1C1C3CC4C5CCCCC5C(C(C)C)CC4C3CCC12.
What is the InChIKey of 3,5-bis(3-methylpentan-3-yl)-20'-propan-2-ylspiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.021,26]octacosane]?
The InChIKey is UFHIBOBPVYTEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H82/c1-9-46(7,10-2)33-25-34(47(8,11-3)12-4)29-48(28-33)43-22-21-37-39-26-38(30(5)6)35-19-15-16-20-36(35)40(39)27-41(37)45(43)42-23-31-17-13-14-18-32(31)24-44(42)48/h30-45H,9-29H2,1-8H3.
What are the key properties of 3,5-bis(3-methylpentan-3-yl)-20'-propan-2-ylspiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.021,26]octacosane]?
3,5-bis(3-methylpentan-3-yl)-20'-propan-2-ylspiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.021,26]octacosane] has a molecular weight of 659.18 g/mol, XLogP of 14.26, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(3-methylpentan-3-yl)-20'-propan-2-ylspiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.021,26]octacosane] is sourced from PubChem (CID 168816571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).