1-cycloheptylhept-5-yn-2-ol

C14H24O — CID 115833770

IUPAC1-cycloheptylhept-5-yn-2-ol
SMILESCC#CCCC(O)CC1CCCCCC1
InChIInChI=1S/C14H24O/c1-2-3-6-11-14(15)12-13-9-7-4-5-8-10-13/h13-15H,4-12H2,1H3
InChIKeyRVMFKPABVUFGQU-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.51
Rot. Bonds4

About 1-cycloheptylhept-5-yn-2-ol

1-cycloheptylhept-5-yn-2-ol (PubChem CID 115833770) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-cycloheptylhept-5-yn-2-ol.

Molecular Properties

Compound Name1-cycloheptylhept-5-yn-2-ol
PubChem CID115833770
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-cycloheptylhept-5-yn-2-ol
SMILESCC#CCCC(O)CC1CCCCCC1
InChIInChI=1S/C14H24O/c1-2-3-6-11-14(15)12-13-9-7-4-5-8-10-13/h13-15H,4-12H2,1H3
InChIKeyRVMFKPABVUFGQU-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.51
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

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1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ol
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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptylhept-5-yn-2-ol?
The IUPAC name of 1-cycloheptylhept-5-yn-2-ol (CID 115833770) is 1-cycloheptylhept-5-yn-2-ol.
What is the SMILES notation for 1-cycloheptylhept-5-yn-2-ol?
The canonical SMILES for 1-cycloheptylhept-5-yn-2-ol is CC#CCCC(O)CC1CCCCCC1.
What is the InChIKey of 1-cycloheptylhept-5-yn-2-ol?
The InChIKey is RVMFKPABVUFGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-2-3-6-11-14(15)12-13-9-7-4-5-8-10-13/h13-15H,4-12H2,1H3.
What are the key properties of 1-cycloheptylhept-5-yn-2-ol?
1-cycloheptylhept-5-yn-2-ol has a molecular weight of 208.34 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptylhept-5-yn-2-ol is sourced from PubChem (CID 115833770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).