2-hexan-3-yloxycycloheptan-1-ol

C13H26O2 — CID 57206256

IUPAC2-hexan-3-yloxycycloheptan-1-ol
SMILESCCCC(CC)OC1CCCCCC1O
InChIInChI=1S/C13H26O2/c1-3-8-11(4-2)15-13-10-7-5-6-9-12(13)14/h11-14H,3-10H2,1-2H3
InChIKeyUSBCICYLLSPFLE-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.28
Rot. Bonds5

About 2-hexan-3-yloxycycloheptan-1-ol

2-hexan-3-yloxycycloheptan-1-ol (PubChem CID 57206256) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-hexan-3-yloxycycloheptan-1-ol.

Molecular Properties

Compound Name2-hexan-3-yloxycycloheptan-1-ol
PubChem CID57206256
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name2-hexan-3-yloxycycloheptan-1-ol
SMILESCCCC(CC)OC1CCCCCC1O
InChIInChI=1S/C13H26O2/c1-3-8-11(4-2)15-13-10-7-5-6-9-12(13)14/h11-14H,3-10H2,1-2H3
InChIKeyUSBCICYLLSPFLE-UHFFFAOYSA-N
XLogP3.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hexan-3-yloxycycloheptan-1-ol?
The IUPAC name of 2-hexan-3-yloxycycloheptan-1-ol (CID 57206256) is 2-hexan-3-yloxycycloheptan-1-ol.
What is the SMILES notation for 2-hexan-3-yloxycycloheptan-1-ol?
The canonical SMILES for 2-hexan-3-yloxycycloheptan-1-ol is CCCC(CC)OC1CCCCCC1O.
What is the InChIKey of 2-hexan-3-yloxycycloheptan-1-ol?
The InChIKey is USBCICYLLSPFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-3-8-11(4-2)15-13-10-7-5-6-9-12(13)14/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-hexan-3-yloxycycloheptan-1-ol?
2-hexan-3-yloxycycloheptan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexan-3-yloxycycloheptan-1-ol is sourced from PubChem (CID 57206256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).