2-[(E)-3-hydroxyhex-1-enyl]-1,3,3-trimethylcyclopentan-1-ol

C14H26O2 — CID 15713901

IUPAC2-[(E)-3-hydroxyhex-1-enyl]-1,3,3-trimethylcyclopentan-1-ol
SMILESCCCC(O)/C=C/C1C(C)(C)CCC1(C)O
InChIInChI=1S/C14H26O2/c1-5-6-11(15)7-8-12-13(2,3)9-10-14(12,4)16/h7-8,11-12,15-16H,5-6,9-10H2,1-4H3/b8-7+
InChIKeyNZZGPRDNGDCVNK-BQYQJAHWSA-N
MW226.36 g/mol
LogP2.89
Rot. Bonds4

About 2-[(E)-3-hydroxyhex-1-enyl]-1,3,3-trimethylcyclopentan-1-ol

2-[(E)-3-hydroxyhex-1-enyl]-1,3,3-trimethylcyclopentan-1-ol (PubChem CID 15713901) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[(E)-3-hydroxyhex-1-enyl]-1,3,3-trimethylcyclopentan-1-ol.

Molecular Properties

Compound Name2-[(E)-3-hydroxyhex-1-enyl]-1,3,3-trimethylcyclopentan-1-ol
PubChem CID15713901
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-[(E)-3-hydroxyhex-1-enyl]-1,3,3-trimethylcyclopentan-1-ol
SMILESCCCC(O)/C=C/C1C(C)(C)CCC1(C)O
InChIInChI=1S/C14H26O2/c1-5-6-11(15)7-8-12-13(2,3)9-10-14(12,4)16/h7-8,11-12,15-16H,5-6,9-10H2,1-4H3/b8-7+
InChIKeyNZZGPRDNGDCVNK-BQYQJAHWSA-N
XLogP2.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-hydroxyhex-1-enyl]-1,3,3-trimethylcyclopentan-1-ol?
The IUPAC name of 2-[(E)-3-hydroxyhex-1-enyl]-1,3,3-trimethylcyclopentan-1-ol (CID 15713901) is 2-[(E)-3-hydroxyhex-1-enyl]-1,3,3-trimethylcyclopentan-1-ol.
What is the SMILES notation for 2-[(E)-3-hydroxyhex-1-enyl]-1,3,3-trimethylcyclopentan-1-ol?
The canonical SMILES for 2-[(E)-3-hydroxyhex-1-enyl]-1,3,3-trimethylcyclopentan-1-ol is CCCC(O)/C=C/C1C(C)(C)CCC1(C)O.
What is the InChIKey of 2-[(E)-3-hydroxyhex-1-enyl]-1,3,3-trimethylcyclopentan-1-ol?
The InChIKey is NZZGPRDNGDCVNK-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H26O2/c1-5-6-11(15)7-8-12-13(2,3)9-10-14(12,4)16/h7-8,11-12,15-16H,5-6,9-10H2,1-4H3/b8-7+.
What are the key properties of 2-[(E)-3-hydroxyhex-1-enyl]-1,3,3-trimethylcyclopentan-1-ol?
2-[(E)-3-hydroxyhex-1-enyl]-1,3,3-trimethylcyclopentan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-hydroxyhex-1-enyl]-1,3,3-trimethylcyclopentan-1-ol is sourced from PubChem (CID 15713901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).