(1S,2S,12S)-2-ethynylbicyclo[10.1.0]tridecan-2-ol

C15H24O — CID 10727667

IUPAC(1S,2S,12S)-2-ethynylbicyclo[10.1.0]tridecan-2-ol
SMILESC#C[C@]1(O)CCCCCCCCC[C@H]2C[C@@H]21
InChIInChI=1S/C15H24O/c1-2-15(16)11-9-7-5-3-4-6-8-10-13-12-14(13)15/h1,13-14,16H,3-12H2/t13-,14-,15-/m0/s1
InChIKeyLYZGDFZTYJGIKC-KKUMJFAQSA-N
MW220.36 g/mol
LogP3.51
Rot. Bonds

About (1S,2S,12S)-2-ethynylbicyclo[10.1.0]tridecan-2-ol

(1S,2S,12S)-2-ethynylbicyclo[10.1.0]tridecan-2-ol (PubChem CID 10727667) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1S,2S,12S)-2-ethynylbicyclo[10.1.0]tridecan-2-ol.

Molecular Properties

Compound Name(1S,2S,12S)-2-ethynylbicyclo[10.1.0]tridecan-2-ol
PubChem CID10727667
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1S,2S,12S)-2-ethynylbicyclo[10.1.0]tridecan-2-ol
SMILESC#C[C@]1(O)CCCCCCCCC[C@H]2C[C@@H]21
InChIInChI=1S/C15H24O/c1-2-15(16)11-9-7-5-3-4-6-8-10-13-12-14(13)15/h1,13-14,16H,3-12H2/t13-,14-,15-/m0/s1
InChIKeyLYZGDFZTYJGIKC-KKUMJFAQSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,15S)-2-hex-1-ynylbicyclo[13.1.0]hexadecan-2-ol
CID 10567598
spiro[bicyclo[4.1.0]heptane-2,1'-cyclopentane]
CID 140625385
2-cyclohexyl-1-prop-2-ynylcyclohexan-1-ol
CID 63222330
cis-(1S,2S)-2-chloro-1-ethynylcyclopentan-1-ol
CID 131165760
2-cyclononylcyclononane-1,1-diol
CID 23113232
(1S,2S,15S)-2-phenylbicyclo[13.1.0]hexadecan-2-ol
CID 10567298
(1S,2S,12S)-2-phenylbicyclo[10.1.0]tridecan-2-ol
CID 10564133
1-ethynyl-2-(1-phenylethenyl)cyclohexan-1-ol
CID 102147005
(1R,2S,6R)-2-methylbicyclo[4.1.0]heptan-2-ol
CID 98172819
2-ethynyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ol
CID 175858950
2-(cyclopentylmethyl)bicyclo[3.1.0]hexan-2-ol
CID 130525906
1-ethynylcyclohexan-1-ol;platinum(2+)
CID 23175181

Frequently Asked Questions

What is the IUPAC name of (1S,2S,12S)-2-ethynylbicyclo[10.1.0]tridecan-2-ol?
The IUPAC name of (1S,2S,12S)-2-ethynylbicyclo[10.1.0]tridecan-2-ol (CID 10727667) is (1S,2S,12S)-2-ethynylbicyclo[10.1.0]tridecan-2-ol.
What is the SMILES notation for (1S,2S,12S)-2-ethynylbicyclo[10.1.0]tridecan-2-ol?
The canonical SMILES for (1S,2S,12S)-2-ethynylbicyclo[10.1.0]tridecan-2-ol is C#C[C@]1(O)CCCCCCCCC[C@H]2C[C@@H]21.
What is the InChIKey of (1S,2S,12S)-2-ethynylbicyclo[10.1.0]tridecan-2-ol?
The InChIKey is LYZGDFZTYJGIKC-KKUMJFAQSA-N. The full InChI is InChI=1S/C15H24O/c1-2-15(16)11-9-7-5-3-4-6-8-10-13-12-14(13)15/h1,13-14,16H,3-12H2/t13-,14-,15-/m0/s1.
What are the key properties of (1S,2S,12S)-2-ethynylbicyclo[10.1.0]tridecan-2-ol?
(1S,2S,12S)-2-ethynylbicyclo[10.1.0]tridecan-2-ol has a molecular weight of 220.36 g/mol, XLogP of 3.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,12S)-2-ethynylbicyclo[10.1.0]tridecan-2-ol is sourced from PubChem (CID 10727667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).