1-hex-1-ynyl-1-methoxycyclohexane

C13H22O — CID 10352756

IUPAC1-hex-1-ynyl-1-methoxycyclohexane
SMILESCCCCC#CC1(OC)CCCCC1
InChIInChI=1S/C13H22O/c1-3-4-5-7-10-13(14-2)11-8-6-9-12-13/h3-6,8-9,11-12H2,1-2H3
InChIKeyTZUKAVDQBDAWQK-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.53
Rot. Bonds3

About 1-hex-1-ynyl-1-methoxycyclohexane

1-hex-1-ynyl-1-methoxycyclohexane (PubChem CID 10352756) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-hex-1-ynyl-1-methoxycyclohexane.

Molecular Properties

Compound Name1-hex-1-ynyl-1-methoxycyclohexane
PubChem CID10352756
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name1-hex-1-ynyl-1-methoxycyclohexane
SMILESCCCCC#CC1(OC)CCCCC1
InChIInChI=1S/C13H22O/c1-3-4-5-7-10-13(14-2)11-8-6-9-12-13/h3-6,8-9,11-12H2,1-2H3
InChIKeyTZUKAVDQBDAWQK-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
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

1-(6-bromohept-6-en-1-ynyl)-1-methoxycyclohexane
CID 10493359
1-methoxycycloheptane-1-carbonitrile
CID 15495961
(1S,2S,15S)-2-hex-1-ynylbicyclo[13.1.0]hexadecan-2-ol
CID 10567598
cis-(1S,2S)-2-chloro-1-hex-1-ynylcyclohexan-1-ol
CID 134889581
1-oct-3-yn-2-ylcyclohexan-1-ol
CID 11805930
gold;1-tetradeca-1,3-diynylcyclohexan-1-ol
CID 87675243
1-non-4-ynylcyclobutan-1-ol
CID 135040055
pentadeca-5,10-diyne
CID 15530767
(Hex-1-yn-1-yl)silane
CID 13112953
2-dec-2-ynyl-2-(2-dec-2-ynyloxan-2-yl)oxyoxane
CID 68662932
2,2-dichloro-3-hex-1-ynyl-3-methylcyclohexan-1-one
CID 12023286
1-hex-1-ynylpiperidine
CID 134987420

Frequently Asked Questions

What is the IUPAC name of 1-hex-1-ynyl-1-methoxycyclohexane?
The IUPAC name of 1-hex-1-ynyl-1-methoxycyclohexane (CID 10352756) is 1-hex-1-ynyl-1-methoxycyclohexane.
What is the SMILES notation for 1-hex-1-ynyl-1-methoxycyclohexane?
The canonical SMILES for 1-hex-1-ynyl-1-methoxycyclohexane is CCCCC#CC1(OC)CCCCC1.
What is the InChIKey of 1-hex-1-ynyl-1-methoxycyclohexane?
The InChIKey is TZUKAVDQBDAWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-3-4-5-7-10-13(14-2)11-8-6-9-12-13/h3-6,8-9,11-12H2,1-2H3.
What are the key properties of 1-hex-1-ynyl-1-methoxycyclohexane?
1-hex-1-ynyl-1-methoxycyclohexane has a molecular weight of 194.32 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-1-ynyl-1-methoxycyclohexane is sourced from PubChem (CID 10352756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).