cyclopentane;heptan-1-ol

C12H26O — CID 67743397

IUPACcyclopentane;heptan-1-ol
SMILESC1CCCC1.CCCCCCCO
InChIInChI=1S/C7H16O.C5H10/c1-2-3-4-5-6-7-8;1-2-4-5-3-1/h8H,2-7H2,1H3;1-5H2
InChIKeyHPNWPKQTLDZOLQ-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.90
Rot. Bonds5

About cyclopentane;heptan-1-ol

cyclopentane;heptan-1-ol (PubChem CID 67743397) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is cyclopentane;heptan-1-ol.

Molecular Properties

Compound Namecyclopentane;heptan-1-ol
PubChem CID67743397
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Namecyclopentane;heptan-1-ol
SMILESC1CCCC1.CCCCCCCO
InChIInChI=1S/C7H16O.C5H10/c1-2-3-4-5-6-7-8;1-2-4-5-3-1/h8H,2-7H2,1H3;1-5H2
InChIKeyHPNWPKQTLDZOLQ-UHFFFAOYSA-N
XLogP3.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclohexane;bis(pentan-1-ol)
CID 159060972
cycloheptane;bis(pentan-1-ol)
CID 140562210
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
heptatriacontan-1-ol
CID 537071

Frequently Asked Questions

What is the IUPAC name of cyclopentane;heptan-1-ol?
The IUPAC name of cyclopentane;heptan-1-ol (CID 67743397) is cyclopentane;heptan-1-ol.
What is the SMILES notation for cyclopentane;heptan-1-ol?
The canonical SMILES for cyclopentane;heptan-1-ol is C1CCCC1.CCCCCCCO.
What is the InChIKey of cyclopentane;heptan-1-ol?
The InChIKey is HPNWPKQTLDZOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O.C5H10/c1-2-3-4-5-6-7-8;1-2-4-5-3-1/h8H,2-7H2,1H3;1-5H2.
What are the key properties of cyclopentane;heptan-1-ol?
cyclopentane;heptan-1-ol has a molecular weight of 186.34 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;heptan-1-ol is sourced from PubChem (CID 67743397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).