1-cyclopropyl-4-methylidenehexane-1,2-diol

C10H18O2 — CID 103457031

IUPAC1-cyclopropyl-4-methylidenehexane-1,2-diol
SMILESC=C(CC)CC(O)C(O)C1CC1
InChIInChI=1S/C10H18O2/c1-3-7(2)6-9(11)10(12)8-4-5-8/h8-12H,2-6H2,1H3
InChIKeyCARAVAGRVJEDGJ-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.47
Rot. Bonds5

About 1-cyclopropyl-4-methylidenehexane-1,2-diol

1-cyclopropyl-4-methylidenehexane-1,2-diol (PubChem CID 103457031) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-cyclopropyl-4-methylidenehexane-1,2-diol.

Molecular Properties

Compound Name1-cyclopropyl-4-methylidenehexane-1,2-diol
PubChem CID103457031
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-cyclopropyl-4-methylidenehexane-1,2-diol
SMILESC=C(CC)CC(O)C(O)C1CC1
InChIInChI=1S/C10H18O2/c1-3-7(2)6-9(11)10(12)8-4-5-8/h8-12H,2-6H2,1H3
InChIKeyCARAVAGRVJEDGJ-UHFFFAOYSA-N
XLogP1.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-3-methylidenepentan-1-ol
CID 66045289
3-methyl-6-methylideneoctan-4-ol
CID 66045779
1-cyclopropyl-4-methylpentane-1,2-diol
CID 103456758
1-(3-ethylcyclopentyl)-3-methylidenepentan-1-amine
CID 66037578
1-cyclopentyl-N-methyl-3-methylidenepentan-1-amine
CID 66036840
1,1-diethoxy-4-methylidenehexan-2-ol
CID 79495661
1-cyclopentyl-4-methylidenehexan-2-amine
CID 105006054
2-ethoxy-5-methylideneheptan-3-ol
CID 66046001
N-methyl-1-(3-methylcyclopentyl)-3-methylidenepentan-1-amine
CID 66037347
(1-cyclohexyl-3-methylidenepentyl)hydrazine
CID 105201935
1-cyclopropyl-1-methoxy-4-methylidene-N-propylhexan-2-amine
CID 116722865
1-cyclopropyl-3-methylbut-3-en-1-ol
CID 79179792

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-methylidenehexane-1,2-diol?
The IUPAC name of 1-cyclopropyl-4-methylidenehexane-1,2-diol (CID 103457031) is 1-cyclopropyl-4-methylidenehexane-1,2-diol.
What is the SMILES notation for 1-cyclopropyl-4-methylidenehexane-1,2-diol?
The canonical SMILES for 1-cyclopropyl-4-methylidenehexane-1,2-diol is C=C(CC)CC(O)C(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-4-methylidenehexane-1,2-diol?
The InChIKey is CARAVAGRVJEDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-7(2)6-9(11)10(12)8-4-5-8/h8-12H,2-6H2,1H3.
What are the key properties of 1-cyclopropyl-4-methylidenehexane-1,2-diol?
1-cyclopropyl-4-methylidenehexane-1,2-diol has a molecular weight of 170.25 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-methylidenehexane-1,2-diol is sourced from PubChem (CID 103457031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).