trans-(1R,3S)-3-[(1E,4E)-6-hydroxy-4-methylhexa-1,4-dienyl]-3-methyl-2-methylidenecyclopentan-1-ol

C14H22O2 — CID 15726423

IUPACtrans-(1R,3S)-3-[(1E,4E)-6-hydroxy-4-methylhexa-1,4-dienyl]-3-methyl-2-methylidenecyclopentan-1-ol
SMILESC=C1[C@H](O)CC[C@@]1(C)/C=C/C/C(C)=C/CO
InChIInChI=1S/C14H22O2/c1-11(7-10-15)5-4-8-14(3)9-6-13(16)12(14)2/h4,7-8,13,15-16H,2,5-6,9-10H2,1,3H3/b8-4+,11-7+/t13-,14-/m1/s1
InChIKeyHNKRZGIOZSPMHF-HDLUKXISSA-N
MW222.33 g/mol
LogP2.59
Rot. Bonds4

About trans-(1R,3S)-3-[(1E,4E)-6-hydroxy-4-methylhexa-1,4-dienyl]-3-methyl-2-methylidenecyclopentan-1-ol

trans-(1R,3S)-3-[(1E,4E)-6-hydroxy-4-methylhexa-1,4-dienyl]-3-methyl-2-methylidenecyclopentan-1-ol (PubChem CID 15726423) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is trans-(1R,3S)-3-[(1E,4E)-6-hydroxy-4-methylhexa-1,4-dienyl]-3-methyl-2-methylidenecyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,3S)-3-[(1E,4E)-6-hydroxy-4-methylhexa-1,4-dienyl]-3-methyl-2-methylidenecyclopentan-1-ol
PubChem CID15726423
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Nametrans-(1R,3S)-3-[(1E,4E)-6-hydroxy-4-methylhexa-1,4-dienyl]-3-methyl-2-methylidenecyclopentan-1-ol
SMILESC=C1[C@H](O)CC[C@@]1(C)/C=C/C/C(C)=C/CO
InChIInChI=1S/C14H22O2/c1-11(7-10-15)5-4-8-14(3)9-6-13(16)12(14)2/h4,7-8,13,15-16H,2,5-6,9-10H2,1,3H3/b8-4+,11-7+/t13-,14-/m1/s1
InChIKeyHNKRZGIOZSPMHF-HDLUKXISSA-N
XLogP2.59
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Isophorol
CID 79016
4-Hexen-3-ol, 6-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
CID 106807
4-Hexen-3-ol, 4-methyl-6-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
CID 106812
3,6,6-Trimethyl-cyclohex-2-enol
CID 558613
(3Z)-5-(1,1-Dimethylethyl)-3-octene-2,5-diol
CID 87676620
5,5-Dimethylcyclohex-2-en-1-ol
CID 12601004
3-Methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-3-penten-2-ol
CID 6437460
(1R,2Z,5S,8E)-2,10,10-trimethyl-6-methylidenecycloundeca-2,8-diene-1,5-diol
CID 10060040
(1R,4R)-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-ol
CID 14159755
(1S,4E)-4-(2-hydroxyethylidene)-6,6-dimethylcyclohex-2-en-1-ol
CID 21631034
(1S,4R)-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-ol
CID 101338767
2-Cyclohexen-1-ol, 4,4,6-trimethyl-
CID 558612

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-3-[(1E,4E)-6-hydroxy-4-methylhexa-1,4-dienyl]-3-methyl-2-methylidenecyclopentan-1-ol?
The IUPAC name of trans-(1R,3S)-3-[(1E,4E)-6-hydroxy-4-methylhexa-1,4-dienyl]-3-methyl-2-methylidenecyclopentan-1-ol (CID 15726423) is trans-(1R,3S)-3-[(1E,4E)-6-hydroxy-4-methylhexa-1,4-dienyl]-3-methyl-2-methylidenecyclopentan-1-ol.
What is the SMILES notation for trans-(1R,3S)-3-[(1E,4E)-6-hydroxy-4-methylhexa-1,4-dienyl]-3-methyl-2-methylidenecyclopentan-1-ol?
The canonical SMILES for trans-(1R,3S)-3-[(1E,4E)-6-hydroxy-4-methylhexa-1,4-dienyl]-3-methyl-2-methylidenecyclopentan-1-ol is C=C1[C@H](O)CC[C@@]1(C)/C=C/C/C(C)=C/CO.
What is the InChIKey of trans-(1R,3S)-3-[(1E,4E)-6-hydroxy-4-methylhexa-1,4-dienyl]-3-methyl-2-methylidenecyclopentan-1-ol?
The InChIKey is HNKRZGIOZSPMHF-HDLUKXISSA-N. The full InChI is InChI=1S/C14H22O2/c1-11(7-10-15)5-4-8-14(3)9-6-13(16)12(14)2/h4,7-8,13,15-16H,2,5-6,9-10H2,1,3H3/b8-4+,11-7+/t13-,14-/m1/s1.
What are the key properties of trans-(1R,3S)-3-[(1E,4E)-6-hydroxy-4-methylhexa-1,4-dienyl]-3-methyl-2-methylidenecyclopentan-1-ol?
trans-(1R,3S)-3-[(1E,4E)-6-hydroxy-4-methylhexa-1,4-dienyl]-3-methyl-2-methylidenecyclopentan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-3-[(1E,4E)-6-hydroxy-4-methylhexa-1,4-dienyl]-3-methyl-2-methylidenecyclopentan-1-ol is sourced from PubChem (CID 15726423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).