(1R)-4-(3-hydroxypenta-1,2,4-trienyl)-3,5,5-trimethylcyclohex-3-en-1-ol

C14H20O2 — CID 88614038

IUPAC(1R)-4-(3-hydroxypenta-1,2,4-trienyl)-3,5,5-trimethylcyclohex-3-en-1-ol
SMILESC=CC(O)=C=CC1=C(C)C[C@@H](O)CC1(C)C
InChIInChI=1S/C14H20O2/c1-5-11(15)6-7-13-10(2)8-12(16)9-14(13,3)4/h5,7,12,15-16H,1,8-9H2,2-4H3/t6?,12-/m1/s1
InChIKeyNCKABHHHVZWZQF-SMFDIBLKSA-N
MW220.31 g/mol
LogP3.27
Rot. Bonds2

About (1R)-4-(3-hydroxypenta-1,2,4-trienyl)-3,5,5-trimethylcyclohex-3-en-1-ol

(1R)-4-(3-hydroxypenta-1,2,4-trienyl)-3,5,5-trimethylcyclohex-3-en-1-ol (PubChem CID 88614038) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (1R)-4-(3-hydroxypenta-1,2,4-trienyl)-3,5,5-trimethylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name(1R)-4-(3-hydroxypenta-1,2,4-trienyl)-3,5,5-trimethylcyclohex-3-en-1-ol
PubChem CID88614038
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(1R)-4-(3-hydroxypenta-1,2,4-trienyl)-3,5,5-trimethylcyclohex-3-en-1-ol
SMILESC=CC(O)=C=CC1=C(C)C[C@@H](O)CC1(C)C
InChIInChI=1S/C14H20O2/c1-5-11(15)6-7-13-10(2)8-12(16)9-14(13,3)4/h5,7,12,15-16H,1,8-9H2,2-4H3/t6?,12-/m1/s1
InChIKeyNCKABHHHVZWZQF-SMFDIBLKSA-N
XLogP3.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-4-(3-hydroxypenta-1,2,4-trienyl)-3,5,5-trimethylcyclohex-3-en-1-ol?
The IUPAC name of (1R)-4-(3-hydroxypenta-1,2,4-trienyl)-3,5,5-trimethylcyclohex-3-en-1-ol (CID 88614038) is (1R)-4-(3-hydroxypenta-1,2,4-trienyl)-3,5,5-trimethylcyclohex-3-en-1-ol.
What is the SMILES notation for (1R)-4-(3-hydroxypenta-1,2,4-trienyl)-3,5,5-trimethylcyclohex-3-en-1-ol?
The canonical SMILES for (1R)-4-(3-hydroxypenta-1,2,4-trienyl)-3,5,5-trimethylcyclohex-3-en-1-ol is C=CC(O)=C=CC1=C(C)C[C@@H](O)CC1(C)C.
What is the InChIKey of (1R)-4-(3-hydroxypenta-1,2,4-trienyl)-3,5,5-trimethylcyclohex-3-en-1-ol?
The InChIKey is NCKABHHHVZWZQF-SMFDIBLKSA-N. The full InChI is InChI=1S/C14H20O2/c1-5-11(15)6-7-13-10(2)8-12(16)9-14(13,3)4/h5,7,12,15-16H,1,8-9H2,2-4H3/t6?,12-/m1/s1.
What are the key properties of (1R)-4-(3-hydroxypenta-1,2,4-trienyl)-3,5,5-trimethylcyclohex-3-en-1-ol?
(1R)-4-(3-hydroxypenta-1,2,4-trienyl)-3,5,5-trimethylcyclohex-3-en-1-ol has a molecular weight of 220.31 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-(3-hydroxypenta-1,2,4-trienyl)-3,5,5-trimethylcyclohex-3-en-1-ol is sourced from PubChem (CID 88614038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).