1,3-dimethyl-6-(6-methyloctan-2-yl)-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C23H44 — CID 143344836

IUPAC1,3-dimethyl-6-(6-methyloctan-2-yl)-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCCC(C)CCCC(C)C1CC(C(C)C)C2C(C)CC(C)C2C1
InChIInChI=1S/C23H44/c1-8-16(4)10-9-11-17(5)20-13-21(15(2)3)23-19(7)12-18(6)22(23)14-20/h15-23H,8-14H2,1-7H3
InChIKeySSUNPJXEOKZFAX-UHFFFAOYSA-N
MW320.61 g/mol
LogP7.43
Rot. Bonds7

About 1,3-dimethyl-6-(6-methyloctan-2-yl)-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

1,3-dimethyl-6-(6-methyloctan-2-yl)-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 143344836) has the molecular formula C23H44 and a molecular weight of 320.61 g/mol. Its IUPAC name is 1,3-dimethyl-6-(6-methyloctan-2-yl)-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name1,3-dimethyl-6-(6-methyloctan-2-yl)-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID143344836
Molecular FormulaC23H44
Molecular Weight320.61 g/mol
Exact Mass320.34
IUPAC Name1,3-dimethyl-6-(6-methyloctan-2-yl)-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCCC(C)CCCC(C)C1CC(C(C)C)C2C(C)CC(C)C2C1
InChIInChI=1S/C23H44/c1-8-16(4)10-9-11-17(5)20-13-21(15(2)3)23-19(7)12-18(6)22(23)14-20/h15-23H,8-14H2,1-7H3
InChIKeySSUNPJXEOKZFAX-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.61
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,4-trimethyl-5-(6-methyloctan-2-yl)cycloheptane
CID 143345986
(3R,7R)-3,7-dimethylnonane
CID 42626759
1-methyl-4-(2-methylbutyl)-2-propan-2-ylcyclopentane
CID 123749319
1-(4,7-dimethylnonan-2-yl)-3-methylcyclobutane
CID 123489822
bis(3-methylhexane);1,2,3-trimethylcyclobutane
CID 162022066
3-methyl-1-(4-methyl-6-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)nonan-1-amine
CID 166774205
1,2-dimethyl-4-pentan-2-ylcyclopentane
CID 123931283
1,3-dimethyl-2-(2-methylcyclopropyl)cyclobutane
CID 91132090
1-(6-methylheptan-2-yl)-4-(3-methylpentyl)cyclohexane
CID 102305069
1-heptan-2-yl-2-methylcyclopropane
CID 91084036
1-hexan-2-yl-2-propan-2-ylcyclopropane
CID 123497501
1,2,3-trimethyl-4-(5-methylheptan-2-yl)cyclohexane
CID 123804533

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(6-methyloctan-2-yl)-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 1,3-dimethyl-6-(6-methyloctan-2-yl)-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 143344836) is 1,3-dimethyl-6-(6-methyloctan-2-yl)-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 1,3-dimethyl-6-(6-methyloctan-2-yl)-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 1,3-dimethyl-6-(6-methyloctan-2-yl)-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is CCC(C)CCCC(C)C1CC(C(C)C)C2C(C)CC(C)C2C1.
What is the InChIKey of 1,3-dimethyl-6-(6-methyloctan-2-yl)-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is SSUNPJXEOKZFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44/c1-8-16(4)10-9-11-17(5)20-13-21(15(2)3)23-19(7)12-18(6)22(23)14-20/h15-23H,8-14H2,1-7H3.
What are the key properties of 1,3-dimethyl-6-(6-methyloctan-2-yl)-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
1,3-dimethyl-6-(6-methyloctan-2-yl)-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 320.61 g/mol, XLogP of 7.43, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(6-methyloctan-2-yl)-4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 143344836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).