[(2S)-2-hexyl-2-prop-2-enylcyclopropyl]methanol

C13H24O — CID 102316504

IUPAC[(2S)-2-hexyl-2-prop-2-enylcyclopropyl]methanol
SMILESC=CC[C@@]1(CCCCCC)CC1CO
InChIInChI=1S/C13H24O/c1-3-5-6-7-9-13(8-4-2)10-12(13)11-14/h4,12,14H,2-3,5-11H2,1H3/t12?,13-/m1/s1
InChIKeyMCVLDKUVMQGNKB-ZGTCLIOFSA-N
MW196.33 g/mol
LogP3.53
Rot. Bonds8

About [(2S)-2-hexyl-2-prop-2-enylcyclopropyl]methanol

[(2S)-2-hexyl-2-prop-2-enylcyclopropyl]methanol (PubChem CID 102316504) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is [(2S)-2-hexyl-2-prop-2-enylcyclopropyl]methanol.

Molecular Properties

Compound Name[(2S)-2-hexyl-2-prop-2-enylcyclopropyl]methanol
PubChem CID102316504
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name[(2S)-2-hexyl-2-prop-2-enylcyclopropyl]methanol
SMILESC=CC[C@@]1(CCCCCC)CC1CO
InChIInChI=1S/C13H24O/c1-3-5-6-7-9-13(8-4-2)10-12(13)11-14/h4,12,14H,2-3,5-11H2,1H3/t12?,13-/m1/s1
InChIKeyMCVLDKUVMQGNKB-ZGTCLIOFSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.53
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

1-octyl-1-prop-2-enylcyclopropane
CID 134979265
2-fluoroprop-1-ene;6-hexyl-2-methyl-6-prop-2-enyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene
CID 143365227
2-bromo-1,1-dihexylcyclopropane
CID 71500159
[(2R)-2-butyl-2-prop-2-enylcyclopropyl]benzene
CID 101032196
N-[(1S,3R,4S)-4-ethenyl-3-ethyl-1-(hydroxymethyl)-3-pentylcyclopentyl]acetamide
CID 57317167
7-heptylbicyclo[4.1.0]heptan-7-ol
CID 79331994
2-ethyl-1-hexylcyclopropan-1-ol
CID 85299282
ethenol;heptadecane
CID 158851930
cis-(1S,2S)-1,2-dihexylcyclopropan-1-ol
CID 14921306
1-dodecyltellanyldodecane;prop-2-en-1-ol
CID 175339180
cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol
CID 102123339
(3-hexyl-2-methyloxolan-3-yl)methanol
CID 114535546

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-hexyl-2-prop-2-enylcyclopropyl]methanol?
The IUPAC name of [(2S)-2-hexyl-2-prop-2-enylcyclopropyl]methanol (CID 102316504) is [(2S)-2-hexyl-2-prop-2-enylcyclopropyl]methanol.
What is the SMILES notation for [(2S)-2-hexyl-2-prop-2-enylcyclopropyl]methanol?
The canonical SMILES for [(2S)-2-hexyl-2-prop-2-enylcyclopropyl]methanol is C=CC[C@@]1(CCCCCC)CC1CO.
What is the InChIKey of [(2S)-2-hexyl-2-prop-2-enylcyclopropyl]methanol?
The InChIKey is MCVLDKUVMQGNKB-ZGTCLIOFSA-N. The full InChI is InChI=1S/C13H24O/c1-3-5-6-7-9-13(8-4-2)10-12(13)11-14/h4,12,14H,2-3,5-11H2,1H3/t12?,13-/m1/s1.
What are the key properties of [(2S)-2-hexyl-2-prop-2-enylcyclopropyl]methanol?
[(2S)-2-hexyl-2-prop-2-enylcyclopropyl]methanol has a molecular weight of 196.33 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-hexyl-2-prop-2-enylcyclopropyl]methanol is sourced from PubChem (CID 102316504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).