(2R,4Z)-4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)butan-2-ol

C13H20O — CID 135035209

IUPAC(2R,4Z)-4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)butan-2-ol
SMILESC=C1C=CCC(C)(C)/C1=C/C[C@@H](C)O
InChIInChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-6,8,11,14H,1,7,9H2,2-4H3/b12-8+/t11-/m1/s1
InChIKeyVKNXVSIZMHCCFY-OYGDSYQHSA-N
MW192.30 g/mol
LogP3.23
Rot. Bonds2

About (2R,4Z)-4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)butan-2-ol

(2R,4Z)-4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)butan-2-ol (PubChem CID 135035209) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (2R,4Z)-4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)butan-2-ol.

Molecular Properties

Compound Name(2R,4Z)-4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)butan-2-ol
PubChem CID135035209
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(2R,4Z)-4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)butan-2-ol
SMILESC=C1C=CCC(C)(C)/C1=C/C[C@@H](C)O
InChIInChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-6,8,11,14H,1,7,9H2,2-4H3/b12-8+/t11-/m1/s1
InChIKeyVKNXVSIZMHCCFY-OYGDSYQHSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R,4Z)-4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)butan-2-ol with MolForge

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Related Compounds

Rubixanthin
CID 5281252
Ebanol
CID 6437266
4-Penten-2-ol, 3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
CID 15984303
3,3-Dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-4-penten-2-ol
CID 53425103
(3R)-3',4'-Didehydro-beta,psi-carotene-3-ol
CID 89049130
cis-Rubixanthin
CID 6384268
1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
CID 109264
6-Octen-3-ol, 4-ethenyl-4,7-dimethyl-
CID 174409
beta-Micropteroxanthin
CID 131752384
(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19Z,21Z)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
CID 162873652
(Z)-rubixanthin
CID 21764388
6-(2,2,3-Trimethylcyclopent-3-en-1-yl)hex-5-en-3-ol
CID 109412

Frequently Asked Questions

What is the IUPAC name of (2R,4Z)-4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)butan-2-ol?
The IUPAC name of (2R,4Z)-4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)butan-2-ol (CID 135035209) is (2R,4Z)-4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)butan-2-ol.
What is the SMILES notation for (2R,4Z)-4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)butan-2-ol?
The canonical SMILES for (2R,4Z)-4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)butan-2-ol is C=C1C=CCC(C)(C)/C1=C/C[C@@H](C)O.
What is the InChIKey of (2R,4Z)-4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)butan-2-ol?
The InChIKey is VKNXVSIZMHCCFY-OYGDSYQHSA-N. The full InChI is InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-6,8,11,14H,1,7,9H2,2-4H3/b12-8+/t11-/m1/s1.
What are the key properties of (2R,4Z)-4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)butan-2-ol?
(2R,4Z)-4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)butan-2-ol has a molecular weight of 192.30 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4Z)-4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)butan-2-ol is sourced from PubChem (CID 135035209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).