2,2-dimethoxy-5-methylidenecyclohexan-1-ol

C9H16O3 — CID 134940802

IUPAC2,2-dimethoxy-5-methylidenecyclohexan-1-ol
SMILESC=C1CCC(OC)(OC)C(O)C1
InChIInChI=1S/C9H16O3/c1-7-4-5-9(11-2,12-3)8(10)6-7/h8,10H,1,4-6H2,2-3H3
InChIKeySIIDYAOMXVBRBN-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.08
Rot. Bonds2

About 2,2-dimethoxy-5-methylidenecyclohexan-1-ol

2,2-dimethoxy-5-methylidenecyclohexan-1-ol (PubChem CID 134940802) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2,2-dimethoxy-5-methylidenecyclohexan-1-ol.

Molecular Properties

Compound Name2,2-dimethoxy-5-methylidenecyclohexan-1-ol
PubChem CID134940802
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2,2-dimethoxy-5-methylidenecyclohexan-1-ol
SMILESC=C1CCC(OC)(OC)C(O)C1
InChIInChI=1S/C9H16O3/c1-7-4-5-9(11-2,12-3)8(10)6-7/h8,10H,1,4-6H2,2-3H3
InChIKeySIIDYAOMXVBRBN-UHFFFAOYSA-N
XLogP1.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,5R)-5-ethyl-2,2-dimethoxycyclohexan-1-ol
CID 130831888
carbonic acid;methyl 3-methylidenecyclopentane-1-carboxylate
CID 70064692
2-methylbutan-2-yl 1-methoxy-4-methylidenecyclohexane-1-carboxylate
CID 90359350
(3R)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane
CID 134270799
4-methylidenecyclohexane-1,1-diol
CID 89206181
1,1-dimethoxy-2-methylidenecyclopropane
CID 15683576
1-(3-methylidenecyclopentyl)ethanone
CID 556899
(1S,4S)-1-methoxy-4,5-dimethyl-3-methylidenebicyclo[2.2.2]oct-5-en-2-ol
CID 10867209
3-methylidenecyclohexan-1-ol
CID 13244819
tert-butyl (1S)-3-methylidenecyclopentane-1-carboxylate
CID 58332012
methyl 4-methylidenepiperidine-2-carboxylate
CID 45082152
6a-methyl-4-methylidene-1,2,3,3a,5,6-hexahydropentalen-1-ol
CID 14262022

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-5-methylidenecyclohexan-1-ol?
The IUPAC name of 2,2-dimethoxy-5-methylidenecyclohexan-1-ol (CID 134940802) is 2,2-dimethoxy-5-methylidenecyclohexan-1-ol.
What is the SMILES notation for 2,2-dimethoxy-5-methylidenecyclohexan-1-ol?
The canonical SMILES for 2,2-dimethoxy-5-methylidenecyclohexan-1-ol is C=C1CCC(OC)(OC)C(O)C1.
What is the InChIKey of 2,2-dimethoxy-5-methylidenecyclohexan-1-ol?
The InChIKey is SIIDYAOMXVBRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-7-4-5-9(11-2,12-3)8(10)6-7/h8,10H,1,4-6H2,2-3H3.
What are the key properties of 2,2-dimethoxy-5-methylidenecyclohexan-1-ol?
2,2-dimethoxy-5-methylidenecyclohexan-1-ol has a molecular weight of 172.22 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-5-methylidenecyclohexan-1-ol is sourced from PubChem (CID 134940802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).