[3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol

C7H14O4 — CID 54021215

IUPAC[3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol
SMILESCC1(C)C(C(O)O)C1C(O)O
InChIInChI=1S/C7H14O4/c1-7(2)3(5(8)9)4(7)6(10)11/h3-6,8-11H,1-2H3
InChIKeyKZBBFWAZUYUHGB-UHFFFAOYSA-N
MW162.19 g/mol
LogP-1.12
Rot. Bonds2

About [3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol

[3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol (PubChem CID 54021215) has the molecular formula C7H14O4 and a molecular weight of 162.19 g/mol. Its IUPAC name is [3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol.

Molecular Properties

Compound Name[3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol
PubChem CID54021215
Molecular FormulaC7H14O4
Molecular Weight162.19 g/mol
Exact Mass162.09
IUPAC Name[3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol
SMILESCC1(C)C(C(O)O)C1C(O)O
InChIInChI=1S/C7H14O4/c1-7(2)3(5(8)9)4(7)6(10)11/h3-6,8-11H,1-2H3
InChIKeyKZBBFWAZUYUHGB-UHFFFAOYSA-N
XLogP-1.12
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-1.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,3S)-3-(dihydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 22817332
trans-methyl (1R,3R)-3-[(1S,2S)-1,2-dihydroxy-2-[(1R,3R)-3-methoxycarbonyl-2,2-dimethylcyclopropyl]ethyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 10957988
[(1S)-2,2-dimethylcyclopropyl]methanediol
CID 70611170
cis-(2S,3R)-2-(2,2-dichloroethenyl)-1,1-dimethyl-3-propan-2-ylcyclopropane
CID 169302898
trans-(1S,3S)-2,2-dimethyl-3-[(1S)-2,2,2-tribromo-1-hydroxyethyl]cyclopropane-1-carboxylic acid
CID 57290307
1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol
CID 131141250
(1S)-1-(2,2,3-trimethylcyclopentyl)ethanol
CID 66898256
magnesium;propan-2-ol;iodide
CID 173010280
1-(3,3-dimethyloxiran-2-yl)ethanol
CID 10920486
3-(dichloromethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 20528815
azane;1,1,1-trifluoropropan-2-ol
CID 172812336
2-[(1R,3S)-3-[(1R)-1-hydroxy-2-oxopropyl]-2,2-dimethylcyclopropyl]acetonitrile
CID 99639211

Frequently Asked Questions

What is the IUPAC name of [3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol?
The IUPAC name of [3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol (CID 54021215) is [3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol.
What is the SMILES notation for [3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol?
The canonical SMILES for [3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol is CC1(C)C(C(O)O)C1C(O)O.
What is the InChIKey of [3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol?
The InChIKey is KZBBFWAZUYUHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-7(2)3(5(8)9)4(7)6(10)11/h3-6,8-11H,1-2H3.
What are the key properties of [3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol?
[3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol has a molecular weight of 162.19 g/mol, XLogP of -1.12, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol is sourced from PubChem (CID 54021215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).