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]

C45H74 — CID 168816964

IUPAC2-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]
SMILESCC1CC(C)C(C2CCCCC2)C2(C1)C1C3CCCCC3C(C(C)C)CC1C1C3CC4CC5CCCCC5CC4C3CC(C)C12
InChIInChI=1S/C45H74/c1-26(2)36-24-40-41-39-23-33-21-31-15-9-10-16-32(31)22-37(33)38(39)20-29(5)43(41)45(44(40)35-18-12-11-17-34(35)36)25-27(3)19-28(4)42(45)30-13-7-6-8-14-30/h26-44H,6-25H2,1-5H3
InChIKeyKFYPMHCUHHJPGQ-UHFFFAOYSA-N
MW615.09 g/mol
LogP12.70
Rot. Bonds2

About 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]

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] (PubChem CID 168816964) has the molecular formula C45H74 and a molecular weight of 615.09 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name2-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]
PubChem CID168816964
Molecular FormulaC45H74
Molecular Weight615.09 g/mol
Exact Mass614.58
IUPAC Name2-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]
SMILESCC1CC(C)C(C2CCCCC2)C2(C1)C1C3CCCCC3C(C(C)C)CC1C1C3CC4CC5CCCCC5CC4C3CC(C)C12
InChIInChI=1S/C45H74/c1-26(2)36-24-40-41-39-23-33-21-31-15-9-10-16-32(31)22-37(33)38(39)20-29(5)43(41)45(44(40)35-18-12-11-17-34(35)36)25-27(3)19-28(4)42(45)30-13-7-6-8-14-30/h26-44H,6-25H2,1-5H3
InChIKeyKFYPMHCUHHJPGQ-UHFFFAOYSA-N
XLogP12.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.09
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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] with MolForge

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Related Compounds

3,5,5',7'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosane]
CID 168816168
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
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
10-methyl-12-propan-2-yltricyclo[7.3.1.03,7]tridecane
CID 158433586
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
11-methyltetracyclo[8.2.0.02,4.06,8]dodecane
CID 123240466
2-methyl-1,2,3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-hexadecahydrocyclopenta[b]fluorene
CID 123788030
1,3-dimethyl-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-6-propan-2-ylbicyclo[3.2.0]heptane
CID 143343476
2,4-dimethyl-1-(2-propan-2-ylcyclopropyl)cyclohexane
CID 123402643
2,2-dimethyl-3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-tetradecahydro-1H-cyclopenta[b]fluorene
CID 123139653
4-(2-fluorocyclopentyl)-1-methyl-2-propan-2-ylcyclopentane
CID 170059975
2-cyclohexyl-1,4-di(propan-2-yl)cyclohexane
CID 101318401

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is CC1CC(C)C(C2CCCCC2)C2(C1)C1C3CCCCC3C(C(C)C)CC1C1C3CC4CC5CCCCC5CC4C3CC(C)C12.
What is the InChIKey of 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]?
The InChIKey is KFYPMHCUHHJPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H74/c1-26(2)36-24-40-41-39-23-33-21-31-15-9-10-16-32(31)22-37(33)38(39)20-29(5)43(41)45(44(40)35-18-12-11-17-34(35)36)25-27(3)19-28(4)42(45)30-13-7-6-8-14-30/h26-44H,6-25H2,1-5H3.
What are the key properties of 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]?
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] has a molecular weight of 615.09 g/mol, XLogP of 12.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 168816964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).