(1R,4S)-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-ol

C12H20O — CID 164833501

IUPAC(1R,4S)-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-ol
SMILESCC1(O)[C@@H]2CC[C@@H](C2)C12CCCC2
InChIInChI=1S/C12H20O/c1-11(13)9-4-5-10(8-9)12(11)6-2-3-7-12/h9-10,13H,2-8H2,1H3/t9-,10+,11?/m1/s1
InChIKeySEWKKGXKRSSJIF-JKIOLJMWSA-N
MW180.29 g/mol
LogP2.73
Rot. Bonds

About (1R,4S)-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-ol

(1R,4S)-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-ol (PubChem CID 164833501) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (1R,4S)-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-ol.

Molecular Properties

Compound Name(1R,4S)-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-ol
PubChem CID164833501
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(1R,4S)-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-ol
SMILESCC1(O)[C@@H]2CC[C@@H](C2)C12CCCC2
InChIInChI=1S/C12H20O/c1-11(13)9-4-5-10(8-9)12(11)6-2-3-7-12/h9-10,13H,2-8H2,1H3/t9-,10+,11?/m1/s1
InChIKeySEWKKGXKRSSJIF-JKIOLJMWSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-azido-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]
CID 71271431
(1S,2R,3R,7R,9R)-2,8-dimethyltricyclo[5.3.1.13,9]dodecane-2,8-diol
CID 102586581
4-(1-methylcyclopentyl)cyclohexan-1-ol
CID 69367175
(1S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 51004058
(1S,2R)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 91871275
(1R,5R)-6,6-dimethylbicyclo[3.1.1]heptane
CID 91146278
(1R,2S,6S,10S,12R,13S)-6-(hydroxymethyl)-2,6,13-trimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol
CID 90662481
1-chloro-9-methylbicyclo[3.3.1]nonan-9-ol
CID 15105152
2-[6-(2-hydroxypropan-2-yl)-2-tricyclo[5.2.1.02,6]decanyl]propan-2-ol
CID 70233959
7-methyltricyclo[5.4.0.01,10]undecane
CID 123887295
(1S,2R,4R)-2-(hydroxymethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol
CID 11008359
(1R,2R,3R,4S)-3-[(1R)-1-hydroxy-4-methylpent-3-enyl]-2,3-dimethylbicyclo[2.2.1]heptan-2-ol
CID 97032089

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-ol?
The IUPAC name of (1R,4S)-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-ol (CID 164833501) is (1R,4S)-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-ol.
What is the SMILES notation for (1R,4S)-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-ol?
The canonical SMILES for (1R,4S)-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-ol is CC1(O)[C@@H]2CC[C@@H](C2)C12CCCC2.
What is the InChIKey of (1R,4S)-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-ol?
The InChIKey is SEWKKGXKRSSJIF-JKIOLJMWSA-N. The full InChI is InChI=1S/C12H20O/c1-11(13)9-4-5-10(8-9)12(11)6-2-3-7-12/h9-10,13H,2-8H2,1H3/t9-,10+,11?/m1/s1.
What are the key properties of (1R,4S)-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-ol?
(1R,4S)-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-ol has a molecular weight of 180.29 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-ol is sourced from PubChem (CID 164833501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).