cis-(1R,3R)-1-ethynyl-2,2,3-trimethylcyclopentan-1-ol

C10H16O — CID 134856059

IUPACcis-(1R,3R)-1-ethynyl-2,2,3-trimethylcyclopentan-1-ol
SMILESC#C[C@]1(O)CC[C@@H](C)C1(C)C
InChIInChI=1S/C10H16O/c1-5-10(11)7-6-8(2)9(10,3)4/h1,8,11H,6-7H2,2-4H3/t8-,10+/m1/s1
InChIKeyHVKUNJZWNWJGPD-SCZZXKLOSA-N
MW152.24 g/mol
LogP1.81
Rot. Bonds

About cis-(1R,3R)-1-ethynyl-2,2,3-trimethylcyclopentan-1-ol

cis-(1R,3R)-1-ethynyl-2,2,3-trimethylcyclopentan-1-ol (PubChem CID 134856059) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is cis-(1R,3R)-1-ethynyl-2,2,3-trimethylcyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,3R)-1-ethynyl-2,2,3-trimethylcyclopentan-1-ol
PubChem CID134856059
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Namecis-(1R,3R)-1-ethynyl-2,2,3-trimethylcyclopentan-1-ol
SMILESC#C[C@]1(O)CC[C@@H](C)C1(C)C
InChIInChI=1S/C10H16O/c1-5-10(11)7-6-8(2)9(10,3)4/h1,8,11H,6-7H2,2-4H3/t8-,10+/m1/s1
InChIKeyHVKUNJZWNWJGPD-SCZZXKLOSA-N
XLogP1.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.81
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

[(1R,3R)-1,2,2,3-tetramethylcyclopentyl]methanol
CID 7054243
1-[(1S,3R)-1-hydroxy-2,2,3-trimethylcyclopentyl]ethanone
CID 134856008
1,2,2,3-tetramethylcyclohexan-1-ol;titanium
CID 151433332
1-ethynyl-4,4-dimethylcyclohexan-1-ol
CID 20569400
trans-(1R,3S)-1,2,2,3-tetramethylcyclopentan-1-amine
CID 55289923
2,6-diethynyl-3a,5a,9-trimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]indene-2,6-diol
CID 53463665
4-ethynyl-3-methylpiperidin-4-ol
CID 114501937
(5R,8R,9S,10S,13R,14R,17S)-17-ethynyl-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol
CID 11867794
(3R,5R,8R,9S,10S,13S,14S,17S)-3,17-diethynyl-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
CID 99566156
(5S,8R,9S,10S,13S,14S,17S)-17-ethynyl-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol
CID 99566191
(3S,5S,8R,9S,10S,13S,14S,17S)-3,17-diethynyl-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
CID 99566155
(3R,5S,8R,9S,10S,13R,14R,17S)-3,17-diethynyl-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
CID 11867691

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-1-ethynyl-2,2,3-trimethylcyclopentan-1-ol?
The IUPAC name of cis-(1R,3R)-1-ethynyl-2,2,3-trimethylcyclopentan-1-ol (CID 134856059) is cis-(1R,3R)-1-ethynyl-2,2,3-trimethylcyclopentan-1-ol.
What is the SMILES notation for cis-(1R,3R)-1-ethynyl-2,2,3-trimethylcyclopentan-1-ol?
The canonical SMILES for cis-(1R,3R)-1-ethynyl-2,2,3-trimethylcyclopentan-1-ol is C#C[C@]1(O)CC[C@@H](C)C1(C)C.
What is the InChIKey of cis-(1R,3R)-1-ethynyl-2,2,3-trimethylcyclopentan-1-ol?
The InChIKey is HVKUNJZWNWJGPD-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H16O/c1-5-10(11)7-6-8(2)9(10,3)4/h1,8,11H,6-7H2,2-4H3/t8-,10+/m1/s1.
What are the key properties of cis-(1R,3R)-1-ethynyl-2,2,3-trimethylcyclopentan-1-ol?
cis-(1R,3R)-1-ethynyl-2,2,3-trimethylcyclopentan-1-ol has a molecular weight of 152.24 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-1-ethynyl-2,2,3-trimethylcyclopentan-1-ol is sourced from PubChem (CID 134856059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).