(E)-2-[(3-propan-2-ylcyclopentyl)methyl]-5-propoxypent-2-en-1-ol

C17H32O2 — CID 155466131

IUPAC(E)-2-[(3-propan-2-ylcyclopentyl)methyl]-5-propoxypent-2-en-1-ol
SMILESCCCOCC/C=C(/CO)CC1CCC(C(C)C)C1
InChIInChI=1S/C17H32O2/c1-4-9-19-10-5-6-16(13-18)11-15-7-8-17(12-15)14(2)3/h6,14-15,17-18H,4-5,7-13H2,1-3H3/b16-6+
InChIKeyHWQIRVRKHGJMHY-OMCISZLKSA-N
MW268.44 g/mol
LogP4.18
Rot. Bonds9

About (E)-2-[(3-propan-2-ylcyclopentyl)methyl]-5-propoxypent-2-en-1-ol

(E)-2-[(3-propan-2-ylcyclopentyl)methyl]-5-propoxypent-2-en-1-ol (PubChem CID 155466131) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is (E)-2-[(3-propan-2-ylcyclopentyl)methyl]-5-propoxypent-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-[(3-propan-2-ylcyclopentyl)methyl]-5-propoxypent-2-en-1-ol
PubChem CID155466131
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name(E)-2-[(3-propan-2-ylcyclopentyl)methyl]-5-propoxypent-2-en-1-ol
SMILESCCCOCC/C=C(/CO)CC1CCC(C(C)C)C1
InChIInChI=1S/C17H32O2/c1-4-9-19-10-5-6-16(13-18)11-15-7-8-17(12-15)14(2)3/h6,14-15,17-18H,4-5,7-13H2,1-3H3/b16-6+
InChIKeyHWQIRVRKHGJMHY-OMCISZLKSA-N
XLogP4.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[(3-propan-2-ylcyclopentyl)methyl]-5-propoxypent-2-en-1-ol?
The IUPAC name of (E)-2-[(3-propan-2-ylcyclopentyl)methyl]-5-propoxypent-2-en-1-ol (CID 155466131) is (E)-2-[(3-propan-2-ylcyclopentyl)methyl]-5-propoxypent-2-en-1-ol.
What is the SMILES notation for (E)-2-[(3-propan-2-ylcyclopentyl)methyl]-5-propoxypent-2-en-1-ol?
The canonical SMILES for (E)-2-[(3-propan-2-ylcyclopentyl)methyl]-5-propoxypent-2-en-1-ol is CCCOCC/C=C(/CO)CC1CCC(C(C)C)C1.
What is the InChIKey of (E)-2-[(3-propan-2-ylcyclopentyl)methyl]-5-propoxypent-2-en-1-ol?
The InChIKey is HWQIRVRKHGJMHY-OMCISZLKSA-N. The full InChI is InChI=1S/C17H32O2/c1-4-9-19-10-5-6-16(13-18)11-15-7-8-17(12-15)14(2)3/h6,14-15,17-18H,4-5,7-13H2,1-3H3/b16-6+.
What are the key properties of (E)-2-[(3-propan-2-ylcyclopentyl)methyl]-5-propoxypent-2-en-1-ol?
(E)-2-[(3-propan-2-ylcyclopentyl)methyl]-5-propoxypent-2-en-1-ol has a molecular weight of 268.44 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(3-propan-2-ylcyclopentyl)methyl]-5-propoxypent-2-en-1-ol is sourced from PubChem (CID 155466131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).