1-hexan-2-ylcyclopropan-1-ol

C9H18O — CID 126975313

IUPAC1-hexan-2-ylcyclopropan-1-ol
SMILESCCCCC(C)C1(O)CC1
InChIInChI=1S/C9H18O/c1-3-4-5-8(2)9(10)6-7-9/h8,10H,3-7H2,1-2H3
InChIKeyBRZDPKFGEYMYNU-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.34
Rot. Bonds4

About 1-hexan-2-ylcyclopropan-1-ol

1-hexan-2-ylcyclopropan-1-ol (PubChem CID 126975313) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 1-hexan-2-ylcyclopropan-1-ol.

Molecular Properties

Compound Name1-hexan-2-ylcyclopropan-1-ol
PubChem CID126975313
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name1-hexan-2-ylcyclopropan-1-ol
SMILESCCCCC(C)C1(O)CC1
InChIInChI=1S/C9H18O/c1-3-4-5-8(2)9(10)6-7-9/h8,10H,3-7H2,1-2H3
InChIKeyBRZDPKFGEYMYNU-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-1-pentan-2-ylcyclohexan-1-ol
CID 107889037
1-butan-2-yl-4,4-dimethylcyclohexan-1-ol
CID 79446125
1-(1-hydroxypentyl)-4-methylcyclohexan-1-ol
CID 103452288
1-pentan-2-yl-3-propan-2-ylcyclobutan-1-ol
CID 107892837
1-[(hexan-2-ylamino)methyl]cyclopentan-1-ol
CID 65105584
1,2-di(heptan-2-yl)cyclohexane-1,2-dicarboxylic acid
CID 68777214
(3S)-3-ethyl-3-[(2S)-hexan-2-yl]cyclopentene
CID 168881201
1-hexan-2-yl-3,4-dimethyl-1-propan-2-ylcyclohexane
CID 123569728
4-pentan-2-yl-1-phenylpiperidin-4-ol
CID 114013455
tributyl(methyl)phosphanium
CID 2760115
5-ethyl-5-hexan-2-yltetrazole
CID 90996051
hexan-2-ol;zirconium
CID 174835617

Frequently Asked Questions

What is the IUPAC name of 1-hexan-2-ylcyclopropan-1-ol?
The IUPAC name of 1-hexan-2-ylcyclopropan-1-ol (CID 126975313) is 1-hexan-2-ylcyclopropan-1-ol.
What is the SMILES notation for 1-hexan-2-ylcyclopropan-1-ol?
The canonical SMILES for 1-hexan-2-ylcyclopropan-1-ol is CCCCC(C)C1(O)CC1.
What is the InChIKey of 1-hexan-2-ylcyclopropan-1-ol?
The InChIKey is BRZDPKFGEYMYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-3-4-5-8(2)9(10)6-7-9/h8,10H,3-7H2,1-2H3.
What are the key properties of 1-hexan-2-ylcyclopropan-1-ol?
1-hexan-2-ylcyclopropan-1-ol has a molecular weight of 142.24 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-2-ylcyclopropan-1-ol is sourced from PubChem (CID 126975313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).