1-heptoxycycloheptan-1-ol

C14H28O2 — CID 175442996

IUPAC1-heptoxycycloheptan-1-ol
SMILESCCCCCCCOC1(O)CCCCCC1
InChIInChI=1S/C14H28O2/c1-2-3-4-7-10-13-16-14(15)11-8-5-6-9-12-14/h15H,2-13H2,1H3
InChIKeySMKZJLIPETVADH-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.02
Rot. Bonds7

About 1-heptoxycycloheptan-1-ol

1-heptoxycycloheptan-1-ol (PubChem CID 175442996) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-heptoxycycloheptan-1-ol.

Molecular Properties

Compound Name1-heptoxycycloheptan-1-ol
PubChem CID175442996
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name1-heptoxycycloheptan-1-ol
SMILESCCCCCCCOC1(O)CCCCCC1
InChIInChI=1S/C14H28O2/c1-2-3-4-7-10-13-16-14(15)11-8-5-6-9-12-14/h15H,2-13H2,1H3
InChIKeySMKZJLIPETVADH-UHFFFAOYSA-N
XLogP4.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-propoxycyclohexan-1-ol
CID 54523589
1-heptoxy-1-(iodomethyl)cycloheptane
CID 114773223
1-(1-hydroxydodecyl)cyclohexan-1-ol
CID 23056048
1-(1-hydroxytridecyl)cyclohexan-1-ol
CID 103451628
1,1-dibutoxycyclooctane
CID 18791994
1-(1-hexoxycyclohexyl)cyclohexane-1-carbonitrile
CID 57028055
1-octadecylcyclohexan-1-ol
CID 67204292
1-heptylcycloheptan-1-ol
CID 57057960
1-O'-decyl 1-O-octyl cyclohexane-1,1-dicarboxylate
CID 122459034
1-O-heptyl 1-O'-nonyl cyclohexane-1,1-dicarboxylate
CID 122459033
N-[(1-pentoxycycloheptyl)methyl]propan-1-amine
CID 55192110
2-methyl-N-[(1-octoxycyclohexyl)methyl]propan-2-amine
CID 63476269

Frequently Asked Questions

What is the IUPAC name of 1-heptoxycycloheptan-1-ol?
The IUPAC name of 1-heptoxycycloheptan-1-ol (CID 175442996) is 1-heptoxycycloheptan-1-ol.
What is the SMILES notation for 1-heptoxycycloheptan-1-ol?
The canonical SMILES for 1-heptoxycycloheptan-1-ol is CCCCCCCOC1(O)CCCCCC1.
What is the InChIKey of 1-heptoxycycloheptan-1-ol?
The InChIKey is SMKZJLIPETVADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-2-3-4-7-10-13-16-14(15)11-8-5-6-9-12-14/h15H,2-13H2,1H3.
What are the key properties of 1-heptoxycycloheptan-1-ol?
1-heptoxycycloheptan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptoxycycloheptan-1-ol is sourced from PubChem (CID 175442996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).