[(1S,2R)-2-hexyl-2-methyl-3-methylidenecyclopropyl]methanol

C12H22O — CID 102592385

IUPAC[(1S,2R)-2-hexyl-2-methyl-3-methylidenecyclopropyl]methanol
SMILESC=C1[C@H](CO)[C@@]1(C)CCCCCC
InChIInChI=1S/C12H22O/c1-4-5-6-7-8-12(3)10(2)11(12)9-13/h11,13H,2,4-9H2,1,3H3/t11-,12-/m0/s1
InChIKeyMZQFRIXYFYVEDX-RYUDHWBXSA-N
MW182.31 g/mol
LogP3.14
Rot. Bonds6

About [(1S,2R)-2-hexyl-2-methyl-3-methylidenecyclopropyl]methanol

[(1S,2R)-2-hexyl-2-methyl-3-methylidenecyclopropyl]methanol (PubChem CID 102592385) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is [(1S,2R)-2-hexyl-2-methyl-3-methylidenecyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2R)-2-hexyl-2-methyl-3-methylidenecyclopropyl]methanol
PubChem CID102592385
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name[(1S,2R)-2-hexyl-2-methyl-3-methylidenecyclopropyl]methanol
SMILESC=C1[C@H](CO)[C@@]1(C)CCCCCC
InChIInChI=1S/C12H22O/c1-4-5-6-7-8-12(3)10(2)11(12)9-13/h11,13H,2,4-9H2,1,3H3/t11-,12-/m0/s1
InChIKeyMZQFRIXYFYVEDX-RYUDHWBXSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.14
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

cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol
CID 102123339
(1R)-1-[(1R)-1-methyl-2-methylidenecyclopropyl]heptan-1-ol
CID 11041373
ethanol;bis(heptane);bis(hexane)
CID 173110983
methanediol;nonane
CID 159588378
ethanol;hexadecane
CID 21185421
1-hexyl-1,2,2-trimethylcyclopropane
CID 123520586
[(2S)-2-hexyl-2-prop-2-enylcyclopropyl]methanol
CID 102316504
(2-hexyl-2-methyl-1,3-dioxolan-4-yl)methanol
CID 21868
(2-methyl-2-tridecyl-1,3-dioxolan-4-yl)methanol
CID 58883730
decane;propan-1-ol
CID 157421705
ethanol;heptane;methane
CID 160925089
2,3-dimethyl-2-octylcyclohexan-1-one
CID 66609524

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-hexyl-2-methyl-3-methylidenecyclopropyl]methanol?
The IUPAC name of [(1S,2R)-2-hexyl-2-methyl-3-methylidenecyclopropyl]methanol (CID 102592385) is [(1S,2R)-2-hexyl-2-methyl-3-methylidenecyclopropyl]methanol.
What is the SMILES notation for [(1S,2R)-2-hexyl-2-methyl-3-methylidenecyclopropyl]methanol?
The canonical SMILES for [(1S,2R)-2-hexyl-2-methyl-3-methylidenecyclopropyl]methanol is C=C1[C@H](CO)[C@@]1(C)CCCCCC.
What is the InChIKey of [(1S,2R)-2-hexyl-2-methyl-3-methylidenecyclopropyl]methanol?
The InChIKey is MZQFRIXYFYVEDX-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H22O/c1-4-5-6-7-8-12(3)10(2)11(12)9-13/h11,13H,2,4-9H2,1,3H3/t11-,12-/m0/s1.
What are the key properties of [(1S,2R)-2-hexyl-2-methyl-3-methylidenecyclopropyl]methanol?
[(1S,2R)-2-hexyl-2-methyl-3-methylidenecyclopropyl]methanol has a molecular weight of 182.31 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-hexyl-2-methyl-3-methylidenecyclopropyl]methanol is sourced from PubChem (CID 102592385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).