1-(6-bromohept-6-en-1-ynyl)-1-methoxycyclohexane

C14H21BrO — CID 10493359

IUPAC1-(6-bromohept-6-en-1-ynyl)-1-methoxycyclohexane
SMILESC=C(Br)CCCC#CC1(OC)CCCCC1
InChIInChI=1S/C14H21BrO/c1-13(15)9-5-3-6-10-14(16-2)11-7-4-8-12-14/h1,3-5,7-9,11-12H2,2H3
InChIKeyUJHCTIKYXUSPHX-UHFFFAOYSA-N
MW285.23 g/mol
LogP4.42
Rot. Bonds4

About 1-(6-bromohept-6-en-1-ynyl)-1-methoxycyclohexane

1-(6-bromohept-6-en-1-ynyl)-1-methoxycyclohexane (PubChem CID 10493359) has the molecular formula C14H21BrO and a molecular weight of 285.23 g/mol. Its IUPAC name is 1-(6-bromohept-6-en-1-ynyl)-1-methoxycyclohexane.

Molecular Properties

Compound Name1-(6-bromohept-6-en-1-ynyl)-1-methoxycyclohexane
PubChem CID10493359
Molecular FormulaC14H21BrO
Molecular Weight285.23 g/mol
Exact Mass284.08
IUPAC Name1-(6-bromohept-6-en-1-ynyl)-1-methoxycyclohexane
SMILESC=C(Br)CCCC#CC1(OC)CCCCC1
InChIInChI=1S/C14H21BrO/c1-13(15)9-5-3-6-10-14(16-2)11-7-4-8-12-14/h1,3-5,7-9,11-12H2,2H3
InChIKeyUJHCTIKYXUSPHX-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 54.42
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-hex-1-ynyl-1-methoxycyclohexane
CID 10352756
1-methoxycycloheptane-1-carbonitrile
CID 15495961
9-(2-bromoprop-2-enoxy)-2-methylnon-1-en-6-yne
CID 15710163
(1S,2S,15S)-2-hex-1-ynylbicyclo[13.1.0]hexadecan-2-ol
CID 10567598
1-(methoxymethyl)cyclohexan-1-ol
CID 12552140
cis-(1S,2S)-2-chloro-1-hex-1-ynylcyclohexan-1-ol
CID 134889581
2-bromotetradec-1-ene
CID 2757183
1-oct-3-yn-2-ylcyclohexan-1-ol
CID 11805930
[1-(3-piperidin-1-ium-1-ylprop-1-ynyl)cyclohexyl] acetate
CID 3305218
[1-(3-piperidin-1-ylprop-1-ynyl)cyclohexyl] acetate
CID 847499
1-(bromomethyl)-1-methoxycycloheptane
CID 62113509
(1-methoxycyclooctyl)methanol
CID 165494656

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromohept-6-en-1-ynyl)-1-methoxycyclohexane?
The IUPAC name of 1-(6-bromohept-6-en-1-ynyl)-1-methoxycyclohexane (CID 10493359) is 1-(6-bromohept-6-en-1-ynyl)-1-methoxycyclohexane.
What is the SMILES notation for 1-(6-bromohept-6-en-1-ynyl)-1-methoxycyclohexane?
The canonical SMILES for 1-(6-bromohept-6-en-1-ynyl)-1-methoxycyclohexane is C=C(Br)CCCC#CC1(OC)CCCCC1.
What is the InChIKey of 1-(6-bromohept-6-en-1-ynyl)-1-methoxycyclohexane?
The InChIKey is UJHCTIKYXUSPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO/c1-13(15)9-5-3-6-10-14(16-2)11-7-4-8-12-14/h1,3-5,7-9,11-12H2,2H3.
What are the key properties of 1-(6-bromohept-6-en-1-ynyl)-1-methoxycyclohexane?
1-(6-bromohept-6-en-1-ynyl)-1-methoxycyclohexane has a molecular weight of 285.23 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromohept-6-en-1-ynyl)-1-methoxycyclohexane is sourced from PubChem (CID 10493359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).