(E)-3-[(2R)-3-methylidene-2-octylcyclopentyl]prop-2-en-1-ol

C17H30O — CID 142894506

IUPAC(E)-3-[(2R)-3-methylidene-2-octylcyclopentyl]prop-2-en-1-ol
SMILESC=C1CCC(/C=C/CO)[C@H]1CCCCCCCC
InChIInChI=1S/C17H30O/c1-3-4-5-6-7-8-11-17-15(2)12-13-16(17)10-9-14-18/h9-10,16-18H,2-8,11-14H2,1H3/b10-9+/t16?,17-/m0/s1
InChIKeyKBKUMPMEKQXWNR-RUEVOVDXSA-N
MW250.43 g/mol
LogP4.87
Rot. Bonds9

About (E)-3-[(2R)-3-methylidene-2-octylcyclopentyl]prop-2-en-1-ol

(E)-3-[(2R)-3-methylidene-2-octylcyclopentyl]prop-2-en-1-ol (PubChem CID 142894506) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is (E)-3-[(2R)-3-methylidene-2-octylcyclopentyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[(2R)-3-methylidene-2-octylcyclopentyl]prop-2-en-1-ol
PubChem CID142894506
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name(E)-3-[(2R)-3-methylidene-2-octylcyclopentyl]prop-2-en-1-ol
SMILESC=C1CCC(/C=C/CO)[C@H]1CCCCCCCC
InChIInChI=1S/C17H30O/c1-3-4-5-6-7-8-11-17-15(2)12-13-16(17)10-9-14-18/h9-10,16-18H,2-8,11-14H2,1H3/b10-9+/t16?,17-/m0/s1
InChIKeyKBKUMPMEKQXWNR-RUEVOVDXSA-N
XLogP4.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(Z)-hept-2-enyl]-1-methylidene-3-[(E)-oct-1-enyl]cyclopentane
CID 142894494
1-heptyl-2-methylidenecyclopropane
CID 173435427
trans-(2R,3R)-2-(7,8-dihydroxyoctyl)-3-(4-hydroxyoct-1-enyl)cyclopentan-1-one
CID 57017679
(2R)-1-[(E)-4,4-dimethyloct-1-enyl]-2-[(Z)-hept-2-enyl]-3-methylidenecyclopentane
CID 142894484
trans-(2R,3R)-2-(6,7-dihydroxy-5-oxohept-6-enyl)-3-[(E)-oct-1-enyl]cyclopentan-1-one
CID 173439856
2-hydroxy-2-[4-[(1R,2R)-2-oct-1-enyl-5-oxocyclopentyl]butoxy]acetic acid
CID 54120122
trans-(2R,3R)-3-(4-cyclopropyl-4-hydroxyoct-1-enyl)-2-(8-hydroxy-7-oxooctyl)cyclopentan-1-one
CID 57201880
4-hexyl-3-[8-(2-hexyl-3-methylidenecyclopentyl)sulfanyloctylsulfanyl]-5-methylidenecyclopentene
CID 162379135
7-[(1R,2R)-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid
CID 90673938
trans-(2R,3R)-2-(7,8-dihydroxyoctyl)-3-(4-hydroxy-5-methylideneoct-1-enyl)cyclopentan-1-one
CID 56975673
8-[(1S,2S)-2-octylcyclopentyl]oct-2-en-1-ol
CID 54030734
ethane;4-hexyl-3-[8-(2-hexyl-3-methylidenecyclopentyl)sulfanyloctylsulfanyl]-5-methylidenecyclopentene
CID 162379134

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(2R)-3-methylidene-2-octylcyclopentyl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[(2R)-3-methylidene-2-octylcyclopentyl]prop-2-en-1-ol (CID 142894506) is (E)-3-[(2R)-3-methylidene-2-octylcyclopentyl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[(2R)-3-methylidene-2-octylcyclopentyl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[(2R)-3-methylidene-2-octylcyclopentyl]prop-2-en-1-ol is C=C1CCC(/C=C/CO)[C@H]1CCCCCCCC.
What is the InChIKey of (E)-3-[(2R)-3-methylidene-2-octylcyclopentyl]prop-2-en-1-ol?
The InChIKey is KBKUMPMEKQXWNR-RUEVOVDXSA-N. The full InChI is InChI=1S/C17H30O/c1-3-4-5-6-7-8-11-17-15(2)12-13-16(17)10-9-14-18/h9-10,16-18H,2-8,11-14H2,1H3/b10-9+/t16?,17-/m0/s1.
What are the key properties of (E)-3-[(2R)-3-methylidene-2-octylcyclopentyl]prop-2-en-1-ol?
(E)-3-[(2R)-3-methylidene-2-octylcyclopentyl]prop-2-en-1-ol has a molecular weight of 250.43 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(2R)-3-methylidene-2-octylcyclopentyl]prop-2-en-1-ol is sourced from PubChem (CID 142894506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).