trans-(1R,2R)-2-hept-2-ynylcyclopentan-1-ol

C12H20O — CID 12791819

IUPACtrans-(1R,2R)-2-hept-2-ynylcyclopentan-1-ol
SMILESCCCCC#CC[C@H]1CCC[C@H]1O
InChIInChI=1S/C12H20O/c1-2-3-4-5-6-8-11-9-7-10-12(11)13/h11-13H,2-4,7-10H2,1H3/t11-,12+/m0/s1
InChIKeyRQZTVIFBEMRRRJ-NWDGAFQWSA-N
MW180.29 g/mol
LogP2.73
Rot. Bonds3

About trans-(1R,2R)-2-hept-2-ynylcyclopentan-1-ol

trans-(1R,2R)-2-hept-2-ynylcyclopentan-1-ol (PubChem CID 12791819) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is trans-(1R,2R)-2-hept-2-ynylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-hept-2-ynylcyclopentan-1-ol
PubChem CID12791819
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Nametrans-(1R,2R)-2-hept-2-ynylcyclopentan-1-ol
SMILESCCCCC#CC[C@H]1CCC[C@H]1O
InChIInChI=1S/C12H20O/c1-2-3-4-5-6-8-11-9-7-10-12(11)13/h11-13H,2-4,7-10H2,1H3/t11-,12+/m0/s1
InChIKeyRQZTVIFBEMRRRJ-NWDGAFQWSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2S)-2-pent-2-ynylcyclopentan-1-ol
CID 131067468
cis-(1R,2S)-2-(3-tributylstannylprop-2-ynyl)cyclohexan-1-ol
CID 177468630
cis-(1R,2S)-2-prop-2-ynylcyclopentan-1-ol
CID 12791811
trans-(1S,2S)-2-prop-2-ynylcyclopentan-1-ol
CID 12791810
trans-(1R,2S)-2-hexylcyclopentan-1-ol
CID 10797255
cis-(1S,2S)-2-hexylcyclopentan-1-ol
CID 10654739
ethane;2-ethylcyclopentan-1-ol
CID 144624771
cis-(1R,2S)-2-(octadecoxymethyl)cyclopentan-1-ol
CID 56971486
acetic acid;2-pentylcyclopentan-1-ol
CID 71231001
(1R)-2-propylcyclohexan-1-ol
CID 144627240
2-(2-heptoxyethyl)cyclopentan-1-ol
CID 79563672
pentadeca-5,10-diyne
CID 15530767

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-hept-2-ynylcyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-hept-2-ynylcyclopentan-1-ol (CID 12791819) is trans-(1R,2R)-2-hept-2-ynylcyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-hept-2-ynylcyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-hept-2-ynylcyclopentan-1-ol is CCCCC#CC[C@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-hept-2-ynylcyclopentan-1-ol?
The InChIKey is RQZTVIFBEMRRRJ-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H20O/c1-2-3-4-5-6-8-11-9-7-10-12(11)13/h11-13H,2-4,7-10H2,1H3/t11-,12+/m0/s1.
What are the key properties of trans-(1R,2R)-2-hept-2-ynylcyclopentan-1-ol?
trans-(1R,2R)-2-hept-2-ynylcyclopentan-1-ol has a molecular weight of 180.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-hept-2-ynylcyclopentan-1-ol is sourced from PubChem (CID 12791819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).