1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene

C18H26O — CID 69097333

IUPAC1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene
SMILESC=C(CCC)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C18H26O/c1-3-8-15(2)17-11-7-12-18(13-17)19-14-16-9-5-4-6-10-16/h7,11-13,16H,2-6,8-10,14H2,1H3
InChIKeyFEWARZQFQFTUJN-UHFFFAOYSA-N
MW258.41 g/mol
LogP5.46
Rot. Bonds6

About 1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene

1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene (PubChem CID 69097333) has the molecular formula C18H26O and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene
PubChem CID69097333
Molecular FormulaC18H26O
Molecular Weight258.41 g/mol
Exact Mass258.20
IUPAC Name1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene
SMILESC=C(CCC)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C18H26O/c1-3-8-15(2)17-11-7-12-18(13-17)19-14-16-9-5-4-6-10-16/h7,11-13,16H,2-6,8-10,14H2,1H3
InChIKeyFEWARZQFQFTUJN-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.41
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(3-propoxyphenoxy)methylcyclooctane
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1-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol
CID 141350221
1-[3-(cyclohexylmethoxy)phenyl]hexane-1,5-dione
CID 158607530
1-(cyclohexylmethoxy)-3-ethylbenzene
CID 64765854
[3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone
CID 126671401
1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
CID 58097643
4-[3-(cyclohexylmethoxy)phenyl]-2,4-dioxobutanoic acid
CID 510663
1-(cyclohexylmethoxy)-3-fluorobenzene
CID 60731171
3-(cyclobutylmethoxy)benzenecarboximidamide
CID 42656936

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene?
The IUPAC name of 1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene (CID 69097333) is 1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene.
What is the SMILES notation for 1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene?
The canonical SMILES for 1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene is C=C(CCC)c1cccc(OCC2CCCCC2)c1.
What is the InChIKey of 1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene?
The InChIKey is FEWARZQFQFTUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-3-8-15(2)17-11-7-12-18(13-17)19-14-16-9-5-4-6-10-16/h7,11-13,16H,2-6,8-10,14H2,1H3.
What are the key properties of 1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene?
1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene has a molecular weight of 258.41 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene is sourced from PubChem (CID 69097333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).