cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol

C13H26O — CID 102123339

IUPACcis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol
SMILESCCCCCCCCC[C@@]1(C)C[C@H]1O
InChIInChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-13(2)11-12(13)14/h12,14H,3-11H2,1-2H3/t12-,13+/m1/s1
InChIKeyHCPZEGOBSXPILG-OLZOCXBDSA-N
MW198.35 g/mol
LogP3.90
Rot. Bonds8

About cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol

cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol (PubChem CID 102123339) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol
PubChem CID102123339
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Namecis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol
SMILESCCCCCCCCC[C@@]1(C)C[C@H]1O
InChIInChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-13(2)11-12(13)14/h12,14H,3-11H2,1-2H3/t12-,13+/m1/s1
InChIKeyHCPZEGOBSXPILG-OLZOCXBDSA-N
XLogP3.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-ethyl (1S,2S)-2-hexyl-2-methylcyclopropane-1-carboxylate
CID 102020755
CID 123789898
CID 123789898
1-pentylbicyclo[3.1.0]hexan-2-ol
CID 69469372
N-[(2-heptyl-2-methylcyclopropyl)methyl]propan-1-amine
CID 63514212
2-butan-2-yl-1-methyl-1-pentylcyclopropane
CID 123764144
N-[(2-heptyl-2-methylcyclopropyl)methyl]cyclopropanamine
CID 63515265
2-ethyl-1-hexylcyclopropan-1-ol
CID 85299282
(2R)-2-hexadecyl-2,4-dimethyloxetane
CID 11638167
3-methyl-3-octyloxetane
CID 162658167
3-butyl-3-methylcyclobutan-1-ol
CID 123195778
2-bromo-1,1-dihexylcyclopropane
CID 71500159
5-hexyl-5-methyloxolan-2-ol
CID 134558115

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol?
The IUPAC name of cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol (CID 102123339) is cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol is CCCCCCCCC[C@@]1(C)C[C@H]1O.
What is the InChIKey of cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol?
The InChIKey is HCPZEGOBSXPILG-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-13(2)11-12(13)14/h12,14H,3-11H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol?
cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol is sourced from PubChem (CID 102123339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).