10-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-10-en-8-ol

C17H28O3 — CID 10912930

IUPAC10-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-10-en-8-ol
SMILESCCCC/C=C/C1=CC2(COC(C)(C)OC2)CC(O)C1
InChIInChI=1S/C17H28O3/c1-4-5-6-7-8-14-9-15(18)11-17(10-14)12-19-16(2,3)20-13-17/h7-8,10,15,18H,4-6,9,11-13H2,1-3H3/b8-7+
InChIKeyHPDZYJRXSZWWGM-BQYQJAHWSA-N
MW280.41 g/mol
LogP3.58
Rot. Bonds4

About 10-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-10-en-8-ol

10-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-10-en-8-ol (PubChem CID 10912930) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is 10-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-10-en-8-ol.

Molecular Properties

Compound Name10-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-10-en-8-ol
PubChem CID10912930
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name10-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-10-en-8-ol
SMILESCCCC/C=C/C1=CC2(COC(C)(C)OC2)CC(O)C1
InChIInChI=1S/C17H28O3/c1-4-5-6-7-8-14-9-15(18)11-17(10-14)12-19-16(2,3)20-13-17/h7-8,10,15,18H,4-6,9,11-13H2,1-3H3/b8-7+
InChIKeyHPDZYJRXSZWWGM-BQYQJAHWSA-N
XLogP3.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-10-en-8-ol?
The IUPAC name of 10-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-10-en-8-ol (CID 10912930) is 10-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-10-en-8-ol.
What is the SMILES notation for 10-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-10-en-8-ol?
The canonical SMILES for 10-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-10-en-8-ol is CCCC/C=C/C1=CC2(COC(C)(C)OC2)CC(O)C1.
What is the InChIKey of 10-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-10-en-8-ol?
The InChIKey is HPDZYJRXSZWWGM-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H28O3/c1-4-5-6-7-8-14-9-15(18)11-17(10-14)12-19-16(2,3)20-13-17/h7-8,10,15,18H,4-6,9,11-13H2,1-3H3/b8-7+.
What are the key properties of 10-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-10-en-8-ol?
10-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-10-en-8-ol has a molecular weight of 280.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-10-en-8-ol is sourced from PubChem (CID 10912930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).