(2E)-1-butylcyclododec-2-en-1-ol

C16H30O — CID 135039624

IUPAC(2E)-1-butylcyclododec-2-en-1-ol
SMILESCCCCC1(O)/C=C/CCCCCCCCC1
InChIInChI=1S/C16H30O/c1-2-3-13-16(17)14-11-9-7-5-4-6-8-10-12-15-16/h11,14,17H,2-10,12-13,15H2,1H3/b14-11+
InChIKeyTWLNQLVOSHOFFH-SDNWHVSQSA-N
MW238.41 g/mol
LogP4.99
Rot. Bonds3

About (2E)-1-butylcyclododec-2-en-1-ol

(2E)-1-butylcyclododec-2-en-1-ol (PubChem CID 135039624) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is (2E)-1-butylcyclododec-2-en-1-ol.

Molecular Properties

Compound Name(2E)-1-butylcyclododec-2-en-1-ol
PubChem CID135039624
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name(2E)-1-butylcyclododec-2-en-1-ol
SMILESCCCCC1(O)/C=C/CCCCCCCCC1
InChIInChI=1S/C16H30O/c1-2-3-13-16(17)14-11-9-7-5-4-6-8-10-12-15-16/h11,14,17H,2-10,12-13,15H2,1H3/b14-11+
InChIKeyTWLNQLVOSHOFFH-SDNWHVSQSA-N
XLogP4.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-1-butylcyclododec-2-en-1-ol?
The IUPAC name of (2E)-1-butylcyclododec-2-en-1-ol (CID 135039624) is (2E)-1-butylcyclododec-2-en-1-ol.
What is the SMILES notation for (2E)-1-butylcyclododec-2-en-1-ol?
The canonical SMILES for (2E)-1-butylcyclododec-2-en-1-ol is CCCCC1(O)/C=C/CCCCCCCCC1.
What is the InChIKey of (2E)-1-butylcyclododec-2-en-1-ol?
The InChIKey is TWLNQLVOSHOFFH-SDNWHVSQSA-N. The full InChI is InChI=1S/C16H30O/c1-2-3-13-16(17)14-11-9-7-5-4-6-8-10-12-15-16/h11,14,17H,2-10,12-13,15H2,1H3/b14-11+.
What are the key properties of (2E)-1-butylcyclododec-2-en-1-ol?
(2E)-1-butylcyclododec-2-en-1-ol has a molecular weight of 238.41 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-butylcyclododec-2-en-1-ol is sourced from PubChem (CID 135039624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).