8-(3,4-dimethylpentyl)-2,5,7,8-tetramethylspiro[2.5]octane

C19H36 — CID 123459000

IUPAC8-(3,4-dimethylpentyl)-2,5,7,8-tetramethylspiro[2.5]octane
SMILESCC1CC(C)C(C)(CCC(C)C(C)C)C2(C1)CC2C
InChIInChI=1S/C19H36/c1-13(2)15(4)8-9-18(7)16(5)10-14(3)11-19(18)12-17(19)6/h13-17H,8-12H2,1-7H3
InChIKeyJEVAZSNSMYWPRF-UHFFFAOYSA-N
MW264.50 g/mol
LogP6.16
Rot. Bonds4

About 8-(3,4-dimethylpentyl)-2,5,7,8-tetramethylspiro[2.5]octane

8-(3,4-dimethylpentyl)-2,5,7,8-tetramethylspiro[2.5]octane (PubChem CID 123459000) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is 8-(3,4-dimethylpentyl)-2,5,7,8-tetramethylspiro[2.5]octane.

Molecular Properties

Compound Name8-(3,4-dimethylpentyl)-2,5,7,8-tetramethylspiro[2.5]octane
PubChem CID123459000
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name8-(3,4-dimethylpentyl)-2,5,7,8-tetramethylspiro[2.5]octane
SMILESCC1CC(C)C(C)(CCC(C)C(C)C)C2(C1)CC2C
InChIInChI=1S/C19H36/c1-13(2)15(4)8-9-18(7)16(5)10-14(3)11-19(18)12-17(19)6/h13-17H,8-12H2,1-7H3
InChIKeyJEVAZSNSMYWPRF-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Carane
CID 79043
1,3,5-Trimethyl-2-octadecylcyclohexane
CID 41379
1-Isopropyl-1,4,5-trimethylcyclohexane
CID 252330
Bicyclo(4.1.0)heptane, 3,7,7-trimethyl-, (1alpha,3alpha,6alpha)-
CID 12302439
1,1,3,4-Tetramethylcyclohexane
CID 15102861
1,4-Dimethyl-3-n-octadecylcyclohexane
CID 282770
1,2-Dimethyl-3-pentyl-4-propylcyclohexane
CID 566238
1,2-Diethyl-1-hexylcyclohexane
CID 46898843
1,2,3,4,5,6-Hexaethylcyclohexane
CID 519497
cis-Carane
CID 12302437
11-(2,5-Dimethylcyclohexyl)heneicosane
CID 296569
4-Methylspiro[2.5]octane
CID 15329636

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dimethylpentyl)-2,5,7,8-tetramethylspiro[2.5]octane?
The IUPAC name of 8-(3,4-dimethylpentyl)-2,5,7,8-tetramethylspiro[2.5]octane (CID 123459000) is 8-(3,4-dimethylpentyl)-2,5,7,8-tetramethylspiro[2.5]octane.
What is the SMILES notation for 8-(3,4-dimethylpentyl)-2,5,7,8-tetramethylspiro[2.5]octane?
The canonical SMILES for 8-(3,4-dimethylpentyl)-2,5,7,8-tetramethylspiro[2.5]octane is CC1CC(C)C(C)(CCC(C)C(C)C)C2(C1)CC2C.
What is the InChIKey of 8-(3,4-dimethylpentyl)-2,5,7,8-tetramethylspiro[2.5]octane?
The InChIKey is JEVAZSNSMYWPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36/c1-13(2)15(4)8-9-18(7)16(5)10-14(3)11-19(18)12-17(19)6/h13-17H,8-12H2,1-7H3.
What are the key properties of 8-(3,4-dimethylpentyl)-2,5,7,8-tetramethylspiro[2.5]octane?
8-(3,4-dimethylpentyl)-2,5,7,8-tetramethylspiro[2.5]octane has a molecular weight of 264.50 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dimethylpentyl)-2,5,7,8-tetramethylspiro[2.5]octane is sourced from PubChem (CID 123459000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).