(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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Related Compounds

(1E,5Z,10S)-3,7-dimethylidene-10-propan-2-ylcyclodeca-1,5-diene
CID 165345238
(1S,5Z,7R)-4,10-dimethylidene-7-propan-2-ylcyclodec-5-en-1-ol
CID 98177931
(1E,6E,10S)-3-methylidene-10-propan-2-ylcyclodeca-1,6-diene
CID 163075641
(1E,6E)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene
CID 6436582
(1E,5E,10E,12R)-1,5-dimethyl-9-methylidene-12-propan-2-ylcyclotetradeca-1,5,10-triene
CID 177497570
(4S)-7-methylidene-4-propan-2-ylcyclodec-5-en-1-ol
CID 57074679
(4,10-dimethylidene-7-propan-2-ylcyclodec-5-en-1-yl) acetate
CID 72733755
[(5E,7S)-4-methylidene-10-oxo-7-propan-2-ylcyclodec-5-en-1-yl]-phenyltin
CID 88606811
(4S)-4-[(1S)-4-methylidenecyclohex-2-en-1-yl]pentanal
CID 15408871
7-methyl-3-methylidene-10-propan-2-ylcyclodeca-1,5-diene
CID 162992916
(3S)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
CID 11106487
(3R)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
CID 102426665

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).