2-(7-methoxy-4-methylideneocta-5,7-dien-3-yl)oxypropan-2-ylcyclohexane

C19H32O2 — CID 123800840

IUPAC2-(7-methoxy-4-methylideneocta-5,7-dien-3-yl)oxypropan-2-ylcyclohexane
SMILESC=C(C=CC(=C)C(CC)OC(C)(C)C1CCCCC1)OC
InChIInChI=1S/C19H32O2/c1-7-18(15(2)13-14-16(3)20-6)21-19(4,5)17-11-9-8-10-12-17/h13-14,17-18H,2-3,7-12H2,1,4-6H3
InChIKeyBNEDEKSQONFGOY-UHFFFAOYSA-N
MW292.46 g/mol
LogP5.41
Rot. Bonds8

About 2-(7-methoxy-4-methylideneocta-5,7-dien-3-yl)oxypropan-2-ylcyclohexane

2-(7-methoxy-4-methylideneocta-5,7-dien-3-yl)oxypropan-2-ylcyclohexane (PubChem CID 123800840) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 2-(7-methoxy-4-methylideneocta-5,7-dien-3-yl)oxypropan-2-ylcyclohexane.

Molecular Properties

Compound Name2-(7-methoxy-4-methylideneocta-5,7-dien-3-yl)oxypropan-2-ylcyclohexane
PubChem CID123800840
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name2-(7-methoxy-4-methylideneocta-5,7-dien-3-yl)oxypropan-2-ylcyclohexane
SMILESC=C(C=CC(=C)C(CC)OC(C)(C)C1CCCCC1)OC
InChIInChI=1S/C19H32O2/c1-7-18(15(2)13-14-16(3)20-6)21-19(4,5)17-11-9-8-10-12-17/h13-14,17-18H,2-3,7-12H2,1,4-6H3
InChIKeyBNEDEKSQONFGOY-UHFFFAOYSA-N
XLogP5.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.41
H-Bond Donors ≤ 50
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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Related Compounds

3-[(4Z)-4,5-difluoro-6-[[(2Z,4E,6E,8S)-7-fluoro-8-methoxy-5-methylidene-4-prop-2-ynylidenedeca-2,6-dienoxy]methyl]hepta-4,6-dien-3-yl]-6-methoxycyclohexene
CID 88953374
(3S,5S)-5-ethenyl-2-[(4R)-4-fluorocyclohexen-1-yl]-1-methyl-3-propan-2-yloxycyclohexene
CID 118018328
(6S)-1-[(E,4S,7S)-8-fluoro-7-methylundec-8-en-4-yl]-6-methoxy-3-methylcyclohexa-1,3-diene
CID 131969443
1-[[(3Z)-3,4-difluoro-6,9,10-trimethyl-5-methylidenetetradeca-1,3-dien-2-yl]oxymethyl]-4-ethenylcyclohexane
CID 143776904
(6E)-3-(4,7-dimethyldecan-3-yloxy)-6-(2-ethoxyprop-2-enylidene)-1,2-difluoro-4-methyl-5-methylidenecyclohexa-1,3-diene
CID 143810784
2-ethenyl-5-[4-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]cyclohexyl]oxane
CID 143889436
1-Fluoro-5-methyl-6-octan-2-yloxy-3-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
CID 144163681
(3Z)-2-ethoxy-3,4-difluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundeca-1,3-diene
CID 144794301
1-[(4Z)-4,5-difluoro-6-methoxy-3-methylidenehepta-4,6-dien-2-yl]oxy-2,3,6-trimethyloctane
CID 145009682
(3Z)-11-butan-2-yloxy-3,4-difluoro-2-methoxy-6,9,10-trimethyl-5-methylideneundeca-1,3-diene
CID 145673117
1-tert-butyl-4-[(2Z,4Z)-5-fluoro-6-methyl-4-propan-2-yloxyhepta-2,4,6-trien-3-yl]cyclohexane
CID 167476686
6-Ethoxy-1,6-difluoro-2-[[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methoxy]cyclohexa-1,3-diene
CID 175408899

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-4-methylideneocta-5,7-dien-3-yl)oxypropan-2-ylcyclohexane?
The IUPAC name of 2-(7-methoxy-4-methylideneocta-5,7-dien-3-yl)oxypropan-2-ylcyclohexane (CID 123800840) is 2-(7-methoxy-4-methylideneocta-5,7-dien-3-yl)oxypropan-2-ylcyclohexane.
What is the SMILES notation for 2-(7-methoxy-4-methylideneocta-5,7-dien-3-yl)oxypropan-2-ylcyclohexane?
The canonical SMILES for 2-(7-methoxy-4-methylideneocta-5,7-dien-3-yl)oxypropan-2-ylcyclohexane is C=C(C=CC(=C)C(CC)OC(C)(C)C1CCCCC1)OC.
What is the InChIKey of 2-(7-methoxy-4-methylideneocta-5,7-dien-3-yl)oxypropan-2-ylcyclohexane?
The InChIKey is BNEDEKSQONFGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-7-18(15(2)13-14-16(3)20-6)21-19(4,5)17-11-9-8-10-12-17/h13-14,17-18H,2-3,7-12H2,1,4-6H3.
What are the key properties of 2-(7-methoxy-4-methylideneocta-5,7-dien-3-yl)oxypropan-2-ylcyclohexane?
2-(7-methoxy-4-methylideneocta-5,7-dien-3-yl)oxypropan-2-ylcyclohexane has a molecular weight of 292.46 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-4-methylideneocta-5,7-dien-3-yl)oxypropan-2-ylcyclohexane is sourced from PubChem (CID 123800840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).