(1S)-1-[2-[(1S,5R)-1,2-dimethyl-5-propan-2-ylcyclopentyl]ethyl]-1,3-dimethylcyclohexane

C20H38 — CID 135037858

IUPAC(1S)-1-[2-[(1S,5R)-1,2-dimethyl-5-propan-2-ylcyclopentyl]ethyl]-1,3-dimethylcyclohexane
SMILESCC1CCC[C@@](C)(CC[C@@]2(C)C(C)CC[C@@H]2C(C)C)C1
InChIInChI=1S/C20H38/c1-15(2)18-10-9-17(4)20(18,6)13-12-19(5)11-7-8-16(3)14-19/h15-18H,7-14H2,1-6H3/t16?,17?,18-,19+,20+/m1/s1
InChIKeyYHBVSUVQWGXFBU-PBDJWPIDSA-N
MW278.52 g/mol
LogP6.69
Rot. Bonds4

About (1S)-1-[2-[(1S,5R)-1,2-dimethyl-5-propan-2-ylcyclopentyl]ethyl]-1,3-dimethylcyclohexane

(1S)-1-[2-[(1S,5R)-1,2-dimethyl-5-propan-2-ylcyclopentyl]ethyl]-1,3-dimethylcyclohexane (PubChem CID 135037858) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is (1S)-1-[2-[(1S,5R)-1,2-dimethyl-5-propan-2-ylcyclopentyl]ethyl]-1,3-dimethylcyclohexane.

Molecular Properties

Compound Name(1S)-1-[2-[(1S,5R)-1,2-dimethyl-5-propan-2-ylcyclopentyl]ethyl]-1,3-dimethylcyclohexane
PubChem CID135037858
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name(1S)-1-[2-[(1S,5R)-1,2-dimethyl-5-propan-2-ylcyclopentyl]ethyl]-1,3-dimethylcyclohexane
SMILESCC1CCC[C@@](C)(CC[C@@]2(C)C(C)CC[C@@H]2C(C)C)C1
InChIInChI=1S/C20H38/c1-15(2)18-10-9-17(4)20(18,6)13-12-19(5)11-7-8-16(3)14-19/h15-18H,7-14H2,1-6H3/t16?,17?,18-,19+,20+/m1/s1
InChIKeyYHBVSUVQWGXFBU-PBDJWPIDSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(1S,5R)-1,2-dimethyl-5-propan-2-ylcyclopentyl]ethyl]-1,3-dimethylcyclohexane?
The IUPAC name of (1S)-1-[2-[(1S,5R)-1,2-dimethyl-5-propan-2-ylcyclopentyl]ethyl]-1,3-dimethylcyclohexane (CID 135037858) is (1S)-1-[2-[(1S,5R)-1,2-dimethyl-5-propan-2-ylcyclopentyl]ethyl]-1,3-dimethylcyclohexane.
What is the SMILES notation for (1S)-1-[2-[(1S,5R)-1,2-dimethyl-5-propan-2-ylcyclopentyl]ethyl]-1,3-dimethylcyclohexane?
The canonical SMILES for (1S)-1-[2-[(1S,5R)-1,2-dimethyl-5-propan-2-ylcyclopentyl]ethyl]-1,3-dimethylcyclohexane is CC1CCC[C@@](C)(CC[C@@]2(C)C(C)CC[C@@H]2C(C)C)C1.
What is the InChIKey of (1S)-1-[2-[(1S,5R)-1,2-dimethyl-5-propan-2-ylcyclopentyl]ethyl]-1,3-dimethylcyclohexane?
The InChIKey is YHBVSUVQWGXFBU-PBDJWPIDSA-N. The full InChI is InChI=1S/C20H38/c1-15(2)18-10-9-17(4)20(18,6)13-12-19(5)11-7-8-16(3)14-19/h15-18H,7-14H2,1-6H3/t16?,17?,18-,19+,20+/m1/s1.
What are the key properties of (1S)-1-[2-[(1S,5R)-1,2-dimethyl-5-propan-2-ylcyclopentyl]ethyl]-1,3-dimethylcyclohexane?
(1S)-1-[2-[(1S,5R)-1,2-dimethyl-5-propan-2-ylcyclopentyl]ethyl]-1,3-dimethylcyclohexane has a molecular weight of 278.52 g/mol, XLogP of 6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(1S,5R)-1,2-dimethyl-5-propan-2-ylcyclopentyl]ethyl]-1,3-dimethylcyclohexane is sourced from PubChem (CID 135037858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).