(2-butyl-3-methylidene-1-phenyl-2-prop-2-enylcyclopropyl)methanol

C18H24O — CID 134859607

IUPAC(2-butyl-3-methylidene-1-phenyl-2-prop-2-enylcyclopropyl)methanol
SMILESC=CCC1(CCCC)C(=C)C1(CO)c1ccccc1
InChIInChI=1S/C18H24O/c1-4-6-13-17(12-5-2)15(3)18(17,14-19)16-10-8-7-9-11-16/h5,7-11,19H,2-4,6,12-14H2,1H3
InChIKeyWAYDYJHUJVCOOX-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.24
Rot. Bonds7

About (2-butyl-3-methylidene-1-phenyl-2-prop-2-enylcyclopropyl)methanol

(2-butyl-3-methylidene-1-phenyl-2-prop-2-enylcyclopropyl)methanol (PubChem CID 134859607) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is (2-butyl-3-methylidene-1-phenyl-2-prop-2-enylcyclopropyl)methanol.

Molecular Properties

Compound Name(2-butyl-3-methylidene-1-phenyl-2-prop-2-enylcyclopropyl)methanol
PubChem CID134859607
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name(2-butyl-3-methylidene-1-phenyl-2-prop-2-enylcyclopropyl)methanol
SMILESC=CCC1(CCCC)C(=C)C1(CO)c1ccccc1
InChIInChI=1S/C18H24O/c1-4-6-13-17(12-5-2)15(3)18(17,14-19)16-10-8-7-9-11-16/h5,7-11,19H,2-4,6,12-14H2,1H3
InChIKeyWAYDYJHUJVCOOX-UHFFFAOYSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-1-butyl-2-methylidenecyclopropyl]benzene
CID 102163735
[(2R)-2-butyl-2-prop-2-enylcyclopropyl]benzene
CID 101032196
[(1S,2S)-2-butyl-2-methyl-1-phenylcyclopropyl]methanol
CID 101336318
pentane;prop-2-enylbenzene
CID 90884247
hex-1-ene;toluene
CID 22480689
(1-butylcyclobutyl)benzene
CID 57200184
[(1R,2S,3R)-2-hexyl-3-iodo-2-methyl-1-phenylcyclopropyl]methanol
CID 11406114
(2S,3S)-3-methyl-2-phenyl-2-prop-2-enyloxirane
CID 11367280
penta-1,4-diene;pentoxybenzene
CID 174999180
[(1R,2S)-1-butyl-2-methylcyclopropyl]benzene
CID 101248337
(2R,3R)-1-benzyl-2-ethyl-3-methyl-2-prop-2-enylaziridine
CID 101369766
(1S,3R)-4,4-dimethyl-1-phenyl-1,3-bis(prop-2-enyl)-3H-isochromene
CID 10781844

Frequently Asked Questions

What is the IUPAC name of (2-butyl-3-methylidene-1-phenyl-2-prop-2-enylcyclopropyl)methanol?
The IUPAC name of (2-butyl-3-methylidene-1-phenyl-2-prop-2-enylcyclopropyl)methanol (CID 134859607) is (2-butyl-3-methylidene-1-phenyl-2-prop-2-enylcyclopropyl)methanol.
What is the SMILES notation for (2-butyl-3-methylidene-1-phenyl-2-prop-2-enylcyclopropyl)methanol?
The canonical SMILES for (2-butyl-3-methylidene-1-phenyl-2-prop-2-enylcyclopropyl)methanol is C=CCC1(CCCC)C(=C)C1(CO)c1ccccc1.
What is the InChIKey of (2-butyl-3-methylidene-1-phenyl-2-prop-2-enylcyclopropyl)methanol?
The InChIKey is WAYDYJHUJVCOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O/c1-4-6-13-17(12-5-2)15(3)18(17,14-19)16-10-8-7-9-11-16/h5,7-11,19H,2-4,6,12-14H2,1H3.
What are the key properties of (2-butyl-3-methylidene-1-phenyl-2-prop-2-enylcyclopropyl)methanol?
(2-butyl-3-methylidene-1-phenyl-2-prop-2-enylcyclopropyl)methanol has a molecular weight of 256.39 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-3-methylidene-1-phenyl-2-prop-2-enylcyclopropyl)methanol is sourced from PubChem (CID 134859607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).