(1S,2S,4R,5S)-1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol

C10H16O — CID 130990108

IUPAC(1S,2S,4R,5S)-1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol
SMILESC=C(C)[C@@H]1C[C@H](O)[C@@]2(C)C[C@@H]12
InChIInChI=1S/C10H16O/c1-6(2)7-4-9(11)10(3)5-8(7)10/h7-9,11H,1,4-5H2,2-3H3/t7-,8-,9-,10-/m0/s1
InChIKeyQAWVYFPWCFFLIN-XKNYDFJKSA-N
MW152.24 g/mol
LogP1.97
Rot. Bonds1

About (1S,2S,4R,5S)-1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol

(1S,2S,4R,5S)-1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol (PubChem CID 130990108) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1S,2S,4R,5S)-1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol.

Molecular Properties

Compound Name(1S,2S,4R,5S)-1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol
PubChem CID130990108
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1S,2S,4R,5S)-1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol
SMILESC=C(C)[C@@H]1C[C@H](O)[C@@]2(C)C[C@@H]12
InChIInChI=1S/C10H16O/c1-6(2)7-4-9(11)10(3)5-8(7)10/h7-9,11H,1,4-5H2,2-3H3/t7-,8-,9-,10-/m0/s1
InChIKeyQAWVYFPWCFFLIN-XKNYDFJKSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R,5S)-1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol?
The IUPAC name of (1S,2S,4R,5S)-1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol (CID 130990108) is (1S,2S,4R,5S)-1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol.
What is the SMILES notation for (1S,2S,4R,5S)-1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol?
The canonical SMILES for (1S,2S,4R,5S)-1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol is C=C(C)[C@@H]1C[C@H](O)[C@@]2(C)C[C@@H]12.
What is the InChIKey of (1S,2S,4R,5S)-1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol?
The InChIKey is QAWVYFPWCFFLIN-XKNYDFJKSA-N. The full InChI is InChI=1S/C10H16O/c1-6(2)7-4-9(11)10(3)5-8(7)10/h7-9,11H,1,4-5H2,2-3H3/t7-,8-,9-,10-/m0/s1.
What are the key properties of (1S,2S,4R,5S)-1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol?
(1S,2S,4R,5S)-1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol has a molecular weight of 152.24 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R,5S)-1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol is sourced from PubChem (CID 130990108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).