CID 145231449

C14H23 — CID 145231449

IUPAC—
SMILESC#C[C@@]1(C)CCC([CH2])(C(C)C)C[C@@H]1C
InChIInChI=1S/C14H23/c1-7-13(5)8-9-14(6,11(2)3)10-12(13)4/h1,11-12H,6,8-10H2,2-5H3/t12-,13-,14?/m0/s1
InChIKeyYVWNIIGEQYYEQS-RFHHWMCGSA-N
MW191.34 g/mol
LogP3.92
Rot. Bonds1

About CID 145231449

CID 145231449 (PubChem CID 145231449) has the molecular formula C14H23 and a molecular weight of 191.34 g/mol.

Molecular Properties

Compound NameCID 145231449
PubChem CID145231449
Molecular FormulaC14H23
Molecular Weight191.34 g/mol
Exact Mass191.18
IUPAC Name—
SMILESC#C[C@@]1(C)CCC([CH2])(C(C)C)C[C@@H]1C
InChIInChI=1S/C14H23/c1-7-13(5)8-9-14(6,11(2)3)10-12(13)4/h1,11-12H,6,8-10H2,2-5H3/t12-,13-,14?/m0/s1
InChIKeyYVWNIIGEQYYEQS-RFHHWMCGSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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5-ethynyl-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 121006611
azane;1,1,2-trimethylcyclopropane;hydrochloride
CID 174915163
1,4-di(propan-2-yl)bicyclo[2.2.2]octan-2-ol
CID 138736701
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
cis-(1R,3R)-1-ethynyl-2,2,3-trimethylcyclopentan-1-ol
CID 134856059
4-ethynyl-4,5-dimethyloxathiane 2-oxide
CID 89446897
(2S,3S)-2-ethynyl-2,3-dimethyloxirane
CID 23262330
1-propan-2-ylbicyclo[1.1.0]butane
CID 21022524
1-(1,2-dimethylcyclopropyl)oxy-1,2-dimethylcyclopropane
CID 175071290
1,3-dimethyl-4-propan-2-yl-2-oxabicyclo[2.1.1]hexane
CID 176797238

Frequently Asked Questions

What is the IUPAC name of CID 145231449?
The IUPAC name of CID 145231449 (CID 145231449) is not available.
What is the SMILES notation for CID 145231449?
The canonical SMILES for CID 145231449 is C#C[C@@]1(C)CCC([CH2])(C(C)C)C[C@@H]1C.
What is the InChIKey of CID 145231449?
The InChIKey is YVWNIIGEQYYEQS-RFHHWMCGSA-N. The full InChI is InChI=1S/C14H23/c1-7-13(5)8-9-14(6,11(2)3)10-12(13)4/h1,11-12H,6,8-10H2,2-5H3/t12-,13-,14?/m0/s1.
What are the key properties of CID 145231449?
CID 145231449 has a molecular weight of 191.34 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145231449 is sourced from PubChem (CID 145231449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).