1-(1-cyclohex-3-en-1-yloxyethoxy)-4-[(Z)-hex-4-en-3-yl]-1,2,3,4,5,6,7,8-octahydronaphthalene

C24H38O2 — CID 163928744

IUPAC1-(1-cyclohex-3-en-1-yloxyethoxy)-4-[(Z)-hex-4-en-3-yl]-1,2,3,4,5,6,7,8-octahydronaphthalene
SMILESC/C=C\C(CC)C1CCC(OC(C)OC2CC=CCC2)C2=C1CCCC2
InChIInChI=1S/C24H38O2/c1-4-11-19(5-2)21-16-17-24(23-15-10-9-14-22(21)23)26-18(3)25-20-12-7-6-8-13-20/h4,6-7,11,18-21,24H,5,8-10,12-17H2,1-3H3/b11-4-
InChIKeyRGVJHWWYGUJRAH-WCIBSUBMSA-N
MW358.57 g/mol
LogP6.73
Rot. Bonds7

About 1-(1-cyclohex-3-en-1-yloxyethoxy)-4-[(Z)-hex-4-en-3-yl]-1,2,3,4,5,6,7,8-octahydronaphthalene

1-(1-cyclohex-3-en-1-yloxyethoxy)-4-[(Z)-hex-4-en-3-yl]-1,2,3,4,5,6,7,8-octahydronaphthalene (PubChem CID 163928744) has the molecular formula C24H38O2 and a molecular weight of 358.57 g/mol. Its IUPAC name is 1-(1-cyclohex-3-en-1-yloxyethoxy)-4-[(Z)-hex-4-en-3-yl]-1,2,3,4,5,6,7,8-octahydronaphthalene.

Molecular Properties

Compound Name1-(1-cyclohex-3-en-1-yloxyethoxy)-4-[(Z)-hex-4-en-3-yl]-1,2,3,4,5,6,7,8-octahydronaphthalene
PubChem CID163928744
Molecular FormulaC24H38O2
Molecular Weight358.57 g/mol
Exact Mass358.29
IUPAC Name1-(1-cyclohex-3-en-1-yloxyethoxy)-4-[(Z)-hex-4-en-3-yl]-1,2,3,4,5,6,7,8-octahydronaphthalene
SMILESC/C=C\C(CC)C1CCC(OC(C)OC2CC=CCC2)C2=C1CCCC2
InChIInChI=1S/C24H38O2/c1-4-11-19(5-2)21-16-17-24(23-15-10-9-14-22(21)23)26-18(3)25-20-12-7-6-8-13-20/h4,6-7,11,18-21,24H,5,8-10,12-17H2,1-3H3/b11-4-
InChIKeyRGVJHWWYGUJRAH-WCIBSUBMSA-N
XLogP6.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohex-3-en-1-yloxyethoxy)-4-[(Z)-hex-4-en-3-yl]-1,2,3,4,5,6,7,8-octahydronaphthalene?
The IUPAC name of 1-(1-cyclohex-3-en-1-yloxyethoxy)-4-[(Z)-hex-4-en-3-yl]-1,2,3,4,5,6,7,8-octahydronaphthalene (CID 163928744) is 1-(1-cyclohex-3-en-1-yloxyethoxy)-4-[(Z)-hex-4-en-3-yl]-1,2,3,4,5,6,7,8-octahydronaphthalene.
What is the SMILES notation for 1-(1-cyclohex-3-en-1-yloxyethoxy)-4-[(Z)-hex-4-en-3-yl]-1,2,3,4,5,6,7,8-octahydronaphthalene?
The canonical SMILES for 1-(1-cyclohex-3-en-1-yloxyethoxy)-4-[(Z)-hex-4-en-3-yl]-1,2,3,4,5,6,7,8-octahydronaphthalene is C/C=C\C(CC)C1CCC(OC(C)OC2CC=CCC2)C2=C1CCCC2.
What is the InChIKey of 1-(1-cyclohex-3-en-1-yloxyethoxy)-4-[(Z)-hex-4-en-3-yl]-1,2,3,4,5,6,7,8-octahydronaphthalene?
The InChIKey is RGVJHWWYGUJRAH-WCIBSUBMSA-N. The full InChI is InChI=1S/C24H38O2/c1-4-11-19(5-2)21-16-17-24(23-15-10-9-14-22(21)23)26-18(3)25-20-12-7-6-8-13-20/h4,6-7,11,18-21,24H,5,8-10,12-17H2,1-3H3/b11-4-.
What are the key properties of 1-(1-cyclohex-3-en-1-yloxyethoxy)-4-[(Z)-hex-4-en-3-yl]-1,2,3,4,5,6,7,8-octahydronaphthalene?
1-(1-cyclohex-3-en-1-yloxyethoxy)-4-[(Z)-hex-4-en-3-yl]-1,2,3,4,5,6,7,8-octahydronaphthalene has a molecular weight of 358.57 g/mol, XLogP of 6.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohex-3-en-1-yloxyethoxy)-4-[(Z)-hex-4-en-3-yl]-1,2,3,4,5,6,7,8-octahydronaphthalene is sourced from PubChem (CID 163928744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).