(4R)-4-[(2R)-3,3-dimethylhex-5-en-2-yl]oxyhex-1-en-3-ol

C14H26O2 — CID 135038994

IUPAC(4R)-4-[(2R)-3,3-dimethylhex-5-en-2-yl]oxyhex-1-en-3-ol
SMILESC=CCC(C)(C)[C@@H](C)O[C@H](CC)C(O)C=C
InChIInChI=1S/C14H26O2/c1-7-10-14(5,6)11(4)16-13(9-3)12(15)8-2/h7-8,11-13,15H,1-2,9-10H2,3-6H3/t11-,12?,13-/m1/s1
InChIKeyRXRWTPAKJJZROY-LKOMHFJYSA-N
MW226.36 g/mol
LogP3.32
Rot. Bonds8

About (4R)-4-[(2R)-3,3-dimethylhex-5-en-2-yl]oxyhex-1-en-3-ol

(4R)-4-[(2R)-3,3-dimethylhex-5-en-2-yl]oxyhex-1-en-3-ol (PubChem CID 135038994) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (4R)-4-[(2R)-3,3-dimethylhex-5-en-2-yl]oxyhex-1-en-3-ol.

Molecular Properties

Compound Name(4R)-4-[(2R)-3,3-dimethylhex-5-en-2-yl]oxyhex-1-en-3-ol
PubChem CID135038994
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(4R)-4-[(2R)-3,3-dimethylhex-5-en-2-yl]oxyhex-1-en-3-ol
SMILESC=CCC(C)(C)[C@@H](C)O[C@H](CC)C(O)C=C
InChIInChI=1S/C14H26O2/c1-7-10-14(5,6)11(4)16-13(9-3)12(15)8-2/h7-8,11-13,15H,1-2,9-10H2,3-6H3/t11-,12?,13-/m1/s1
InChIKeyRXRWTPAKJJZROY-LKOMHFJYSA-N
XLogP3.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R)-4-[(2R)-3,3-dimethylhex-5-en-2-yl]oxyhex-1-en-3-ol with MolForge

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Launch Full Analysis

Related Compounds

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4,4-Dimethylhepta-1,6-dien-3-ol
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5,5-Dimethylhex-1-ene-3,4-diol
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2-(3-Hydroxyhex-5-en-2-yloxy)hex-5-en-3-ol
CID 57037190
4-Ethyl-4-(1-hydroxyprop-2-enyl)hepta-1,6-diene-3,5-diol
CID 87416573
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CID 87871473

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2R)-3,3-dimethylhex-5-en-2-yl]oxyhex-1-en-3-ol?
The IUPAC name of (4R)-4-[(2R)-3,3-dimethylhex-5-en-2-yl]oxyhex-1-en-3-ol (CID 135038994) is (4R)-4-[(2R)-3,3-dimethylhex-5-en-2-yl]oxyhex-1-en-3-ol.
What is the SMILES notation for (4R)-4-[(2R)-3,3-dimethylhex-5-en-2-yl]oxyhex-1-en-3-ol?
The canonical SMILES for (4R)-4-[(2R)-3,3-dimethylhex-5-en-2-yl]oxyhex-1-en-3-ol is C=CCC(C)(C)[C@@H](C)O[C@H](CC)C(O)C=C.
What is the InChIKey of (4R)-4-[(2R)-3,3-dimethylhex-5-en-2-yl]oxyhex-1-en-3-ol?
The InChIKey is RXRWTPAKJJZROY-LKOMHFJYSA-N. The full InChI is InChI=1S/C14H26O2/c1-7-10-14(5,6)11(4)16-13(9-3)12(15)8-2/h7-8,11-13,15H,1-2,9-10H2,3-6H3/t11-,12?,13-/m1/s1.
What are the key properties of (4R)-4-[(2R)-3,3-dimethylhex-5-en-2-yl]oxyhex-1-en-3-ol?
(4R)-4-[(2R)-3,3-dimethylhex-5-en-2-yl]oxyhex-1-en-3-ol has a molecular weight of 226.36 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2R)-3,3-dimethylhex-5-en-2-yl]oxyhex-1-en-3-ol is sourced from PubChem (CID 135038994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).