(S)-cyclohexyl-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol

C12H20O — CID 10866947

IUPAC(S)-cyclohexyl-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol
SMILESC=C1C[C@]1(C)[C@@H](O)C1CCCCC1
InChIInChI=1S/C12H20O/c1-9-8-12(9,2)11(13)10-6-4-3-5-7-10/h10-11,13H,1,3-8H2,2H3/t11-,12-/m0/s1
InChIKeyXIQRPTQVEBZTGJ-RYUDHWBXSA-N
MW180.29 g/mol
LogP2.89
Rot. Bonds2

About (S)-cyclohexyl-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol

(S)-cyclohexyl-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol (PubChem CID 10866947) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (S)-cyclohexyl-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol.

Molecular Properties

Compound Name(S)-cyclohexyl-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol
PubChem CID10866947
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(S)-cyclohexyl-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol
SMILESC=C1C[C@]1(C)[C@@H](O)C1CCCCC1
InChIInChI=1S/C12H20O/c1-9-8-12(9,2)11(13)10-6-4-3-5-7-10/h10-11,13H,1,3-8H2,2H3/t11-,12-/m0/s1
InChIKeyXIQRPTQVEBZTGJ-RYUDHWBXSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.89
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

(R)-cyclohexyl-[(1R)-2,2-dimethylcyclopropyl]methanol
CID 101342425
(S)-cyclohexyl-(1-trimethylsilylcyclopropyl)methanol
CID 99771566
cyclopentyl-(2,2-dimethylcyclopropyl)methanol
CID 76740101
1-[cyclohexyl(hydroxy)methyl]cycloheptan-1-ol
CID 103451987
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-cycloheptylmethanol
CID 79126283
cyclohexyl-(2-methylidenecyclopropyl)methanol
CID 10442056
1-cycloheptylpropane-1,2-diol
CID 103452573
3-cyclododecylbutan-2-ol
CID 10444334
1-cyclooctyl-2-methylprop-2-en-1-ol
CID 115817273
[1-(aminomethyl)-2-methylcyclopropyl]-cyclohexylmethanol
CID 102551256
cyclohexyl-[1-(dimethylamino)-3-methylcyclohexyl]methanol
CID 79074385

Frequently Asked Questions

What is the IUPAC name of (S)-cyclohexyl-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol?
The IUPAC name of (S)-cyclohexyl-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol (CID 10866947) is (S)-cyclohexyl-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol.
What is the SMILES notation for (S)-cyclohexyl-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol?
The canonical SMILES for (S)-cyclohexyl-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol is C=C1C[C@]1(C)[C@@H](O)C1CCCCC1.
What is the InChIKey of (S)-cyclohexyl-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol?
The InChIKey is XIQRPTQVEBZTGJ-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H20O/c1-9-8-12(9,2)11(13)10-6-4-3-5-7-10/h10-11,13H,1,3-8H2,2H3/t11-,12-/m0/s1.
What are the key properties of (S)-cyclohexyl-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol?
(S)-cyclohexyl-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol has a molecular weight of 180.29 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclohexyl-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol is sourced from PubChem (CID 10866947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).