(2R,3S)-2-prop-1-en-2-ylspiro[3.5]nonan-3-ol

C12H20O — CID 102075660

IUPAC(2R,3S)-2-prop-1-en-2-ylspiro[3.5]nonan-3-ol
SMILESC=C(C)[C@H]1CC2(CCCCC2)[C@H]1O
InChIInChI=1S/C12H20O/c1-9(2)10-8-12(11(10)13)6-4-3-5-7-12/h10-11,13H,1,3-8H2,2H3/t10-,11+/m1/s1
InChIKeyKQHVAQWISJEBAA-MNOVXSKESA-N
MW180.29 g/mol
LogP2.89
Rot. Bonds1

About (2R,3S)-2-prop-1-en-2-ylspiro[3.5]nonan-3-ol

(2R,3S)-2-prop-1-en-2-ylspiro[3.5]nonan-3-ol (PubChem CID 102075660) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (2R,3S)-2-prop-1-en-2-ylspiro[3.5]nonan-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-prop-1-en-2-ylspiro[3.5]nonan-3-ol
PubChem CID102075660
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(2R,3S)-2-prop-1-en-2-ylspiro[3.5]nonan-3-ol
SMILESC=C(C)[C@H]1CC2(CCCCC2)[C@H]1O
InChIInChI=1S/C12H20O/c1-9(2)10-8-12(11(10)13)6-4-3-5-7-12/h10-11,13H,1,3-8H2,2H3/t10-,11+/m1/s1
InChIKeyKQHVAQWISJEBAA-MNOVXSKESA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.89
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-prop-1-en-2-ylcyclododecan-1-ol
CID 141054945
cis-(1R,2R)-2-prop-1-en-2-ylcyclopentan-1-ol
CID 12033954
trans-(1S,2R)-4,4-dimethyl-2-prop-1-en-2-ylcyclopentan-1-ol
CID 130927341
N-(2-methylprop-2-enyl)spiro[2.3]hexane-2-carboxamide
CID 130891244
(1S,2S,4R,5S)-1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol
CID 130990108
(1S,2S,4aR,8R,8aS)-4a,8-dimethyl-2-prop-1-en-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,8-diol
CID 12978159
(2R)-spiro[2.5]octane-2-carboxylic acid
CID 10419388
N-(spiro[2.11]tetradecan-2-ylmethyl)ethanamine
CID 63513335
2-methyl-N-(1-methylcyclohexyl)prop-2-enamide
CID 58186034
N-(spiro[2.6]nonan-2-ylmethyl)ethanamine
CID 62708350
methyl spiro[2.6]nonane-2-carboxylate
CID 144510342
1-prop-1-en-2-ylcyclohexane-1-carboxylic acid
CID 20575445

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-prop-1-en-2-ylspiro[3.5]nonan-3-ol?
The IUPAC name of (2R,3S)-2-prop-1-en-2-ylspiro[3.5]nonan-3-ol (CID 102075660) is (2R,3S)-2-prop-1-en-2-ylspiro[3.5]nonan-3-ol.
What is the SMILES notation for (2R,3S)-2-prop-1-en-2-ylspiro[3.5]nonan-3-ol?
The canonical SMILES for (2R,3S)-2-prop-1-en-2-ylspiro[3.5]nonan-3-ol is C=C(C)[C@H]1CC2(CCCCC2)[C@H]1O.
What is the InChIKey of (2R,3S)-2-prop-1-en-2-ylspiro[3.5]nonan-3-ol?
The InChIKey is KQHVAQWISJEBAA-MNOVXSKESA-N. The full InChI is InChI=1S/C12H20O/c1-9(2)10-8-12(11(10)13)6-4-3-5-7-12/h10-11,13H,1,3-8H2,2H3/t10-,11+/m1/s1.
What are the key properties of (2R,3S)-2-prop-1-en-2-ylspiro[3.5]nonan-3-ol?
(2R,3S)-2-prop-1-en-2-ylspiro[3.5]nonan-3-ol has a molecular weight of 180.29 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-prop-1-en-2-ylspiro[3.5]nonan-3-ol is sourced from PubChem (CID 102075660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).