[(1R,3S)-2,2-dimethyl-3-prop-1-enylcyclopropyl]methanol

C9H16O — CID 54290463

IUPAC[(1R,3S)-2,2-dimethyl-3-prop-1-enylcyclopropyl]methanol
SMILESCC=C[C@H]1[C@@H](CO)C1(C)C
InChIInChI=1S/C9H16O/c1-4-5-7-8(6-10)9(7,2)3/h4-5,7-8,10H,6H2,1-3H3/t7-,8+/m0/s1
InChIKeyRXDJBDCOPQHWRE-JGVFFNPUSA-N
MW140.23 g/mol
LogP1.83
Rot. Bonds2

About [(1R,3S)-2,2-dimethyl-3-prop-1-enylcyclopropyl]methanol

[(1R,3S)-2,2-dimethyl-3-prop-1-enylcyclopropyl]methanol (PubChem CID 54290463) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is [(1R,3S)-2,2-dimethyl-3-prop-1-enylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,3S)-2,2-dimethyl-3-prop-1-enylcyclopropyl]methanol
PubChem CID54290463
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name[(1R,3S)-2,2-dimethyl-3-prop-1-enylcyclopropyl]methanol
SMILESCC=C[C@H]1[C@@H](CO)C1(C)C
InChIInChI=1S/C9H16O/c1-4-5-7-8(6-10)9(7,2)3/h4-5,7-8,10H,6H2,1-3H3/t7-,8+/m0/s1
InChIKeyRXDJBDCOPQHWRE-JGVFFNPUSA-N
XLogP1.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2,2-dimethyl-3-[(Z)-prop-1-enyl]cyclopropyl]acetic acid
CID 15965673
[(1S,2S,3R)-2-butyl-2-methyl-3-[(E)-prop-1-enyl]cyclopropyl]methanol
CID 134686984
[3-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol
CID 14320848
[(1R,3R)-2,2,3-trimethylcyclopropyl]methanol
CID 14202706
[(4S,5S)-2,2-dimethyl-5-[(E)-prop-1-enyl]-1,3-dioxolan-4-yl]methanol
CID 15283501
[(1R,2R)-1-methyl-2-[(E)-prop-1-enyl]cyclopropyl]methanol
CID 155930490
2-ethyl-2-methyl-3-prop-1-enylcyclopropane-1-carboxylic acid
CID 68748322
3-(3-hexyl-2,2-dimethylcyclopropyl)prop-2-enoic acid
CID 175295803
(2S,3S)-4,4-dimethyl-3-[(E)-prop-1-enyl]oxolan-2-ol
CID 141376264
[3-(2,2-dimethoxyethyl)-2,2-dimethylcyclopropyl]methanol
CID 13457366
propan-2-yl 2,2-dimethyl-3-prop-1-enylcyclopropane-1-carboxylate
CID 68745562
tert-butyl 2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropane-1-carboxylate
CID 11521335

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-2,2-dimethyl-3-prop-1-enylcyclopropyl]methanol?
The IUPAC name of [(1R,3S)-2,2-dimethyl-3-prop-1-enylcyclopropyl]methanol (CID 54290463) is [(1R,3S)-2,2-dimethyl-3-prop-1-enylcyclopropyl]methanol.
What is the SMILES notation for [(1R,3S)-2,2-dimethyl-3-prop-1-enylcyclopropyl]methanol?
The canonical SMILES for [(1R,3S)-2,2-dimethyl-3-prop-1-enylcyclopropyl]methanol is CC=C[C@H]1[C@@H](CO)C1(C)C.
What is the InChIKey of [(1R,3S)-2,2-dimethyl-3-prop-1-enylcyclopropyl]methanol?
The InChIKey is RXDJBDCOPQHWRE-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H16O/c1-4-5-7-8(6-10)9(7,2)3/h4-5,7-8,10H,6H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of [(1R,3S)-2,2-dimethyl-3-prop-1-enylcyclopropyl]methanol?
[(1R,3S)-2,2-dimethyl-3-prop-1-enylcyclopropyl]methanol has a molecular weight of 140.23 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-2,2-dimethyl-3-prop-1-enylcyclopropyl]methanol is sourced from PubChem (CID 54290463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).