(6S)-3-methylidene-6-propan-2-ylcyclohexene;(6R)-3-methylidene-6-propan-2-ylcyclohexene

C20H32 — CID 76969298

IUPAC(6S)-3-methylidene-6-propan-2-ylcyclohexene;(6R)-3-methylidene-6-propan-2-ylcyclohexene
SMILESC=C1C=C[C@@H](C(C)C)CC1.C=C1C=C[C@H](C(C)C)CC1
InChIInChI=1S/2C10H16/c2*1-8(2)10-6-4-9(3)5-7-10/h2*4,6,8,10H,3,5,7H2,1-2H3/t2*10-/m10/s1
InChIKeyWLPDOAQJXWUPGO-FTYBWHBYSA-N
MW272.48 g/mol
LogP6.33
Rot. Bonds2

About (6S)-3-methylidene-6-propan-2-ylcyclohexene;(6R)-3-methylidene-6-propan-2-ylcyclohexene

(6S)-3-methylidene-6-propan-2-ylcyclohexene;(6R)-3-methylidene-6-propan-2-ylcyclohexene (PubChem CID 76969298) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is (6S)-3-methylidene-6-propan-2-ylcyclohexene;(6R)-3-methylidene-6-propan-2-ylcyclohexene.

Molecular Properties

Compound Name(6S)-3-methylidene-6-propan-2-ylcyclohexene;(6R)-3-methylidene-6-propan-2-ylcyclohexene
PubChem CID76969298
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name(6S)-3-methylidene-6-propan-2-ylcyclohexene;(6R)-3-methylidene-6-propan-2-ylcyclohexene
SMILESC=C1C=C[C@@H](C(C)C)CC1.C=C1C=C[C@H](C(C)C)CC1
InChIInChI=1S/2C10H16/c2*1-8(2)10-6-4-9(3)5-7-10/h2*4,6,8,10H,3,5,7H2,1-2H3/t2*10-/m10/s1
InChIKeyWLPDOAQJXWUPGO-FTYBWHBYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (6S)-3-methylidene-6-propan-2-ylcyclohexene;(6R)-3-methylidene-6-propan-2-ylcyclohexene?
The IUPAC name of (6S)-3-methylidene-6-propan-2-ylcyclohexene;(6R)-3-methylidene-6-propan-2-ylcyclohexene (CID 76969298) is (6S)-3-methylidene-6-propan-2-ylcyclohexene;(6R)-3-methylidene-6-propan-2-ylcyclohexene.
What is the SMILES notation for (6S)-3-methylidene-6-propan-2-ylcyclohexene;(6R)-3-methylidene-6-propan-2-ylcyclohexene?
The canonical SMILES for (6S)-3-methylidene-6-propan-2-ylcyclohexene;(6R)-3-methylidene-6-propan-2-ylcyclohexene is C=C1C=C[C@@H](C(C)C)CC1.C=C1C=C[C@H](C(C)C)CC1.
What is the InChIKey of (6S)-3-methylidene-6-propan-2-ylcyclohexene;(6R)-3-methylidene-6-propan-2-ylcyclohexene?
The InChIKey is WLPDOAQJXWUPGO-FTYBWHBYSA-N. The full InChI is InChI=1S/2C10H16/c2*1-8(2)10-6-4-9(3)5-7-10/h2*4,6,8,10H,3,5,7H2,1-2H3/t2*10-/m10/s1.
What are the key properties of (6S)-3-methylidene-6-propan-2-ylcyclohexene;(6R)-3-methylidene-6-propan-2-ylcyclohexene?
(6S)-3-methylidene-6-propan-2-ylcyclohexene;(6R)-3-methylidene-6-propan-2-ylcyclohexene has a molecular weight of 272.48 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-methylidene-6-propan-2-ylcyclohexene;(6R)-3-methylidene-6-propan-2-ylcyclohexene is sourced from PubChem (CID 76969298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).