(3E)-1-[(E)-prop-1-enyl]cyclododec-3-en-1-ol

C15H26O — CID 18348364

IUPAC(3E)-1-[(E)-prop-1-enyl]cyclododec-3-en-1-ol
SMILESC/C=C/C1(O)C/C=C/CCCCCCCC1
InChIInChI=1S/C15H26O/c1-2-12-15(16)13-10-8-6-4-3-5-7-9-11-14-15/h2,8,10,12,16H,3-7,9,11,13-14H2,1H3/b10-8+,12-2+
InChIKeyDLAYXZBBOSYIPQ-COCGMRRFSA-N
MW222.37 g/mol
LogP4.37
Rot. Bonds1

About (3E)-1-[(E)-prop-1-enyl]cyclododec-3-en-1-ol

(3E)-1-[(E)-prop-1-enyl]cyclododec-3-en-1-ol (PubChem CID 18348364) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (3E)-1-[(E)-prop-1-enyl]cyclododec-3-en-1-ol.

Molecular Properties

Compound Name(3E)-1-[(E)-prop-1-enyl]cyclododec-3-en-1-ol
PubChem CID18348364
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(3E)-1-[(E)-prop-1-enyl]cyclododec-3-en-1-ol
SMILESC/C=C/C1(O)C/C=C/CCCCCCCC1
InChIInChI=1S/C15H26O/c1-2-12-15(16)13-10-8-6-4-3-5-7-9-11-14-15/h2,8,10,12,16H,3-7,9,11,13-14H2,1H3/b10-8+,12-2+
InChIKeyDLAYXZBBOSYIPQ-COCGMRRFSA-N
XLogP4.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.37
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 (3E)-1-[(E)-prop-1-enyl]cyclododec-3-en-1-ol?
The IUPAC name of (3E)-1-[(E)-prop-1-enyl]cyclododec-3-en-1-ol (CID 18348364) is (3E)-1-[(E)-prop-1-enyl]cyclododec-3-en-1-ol.
What is the SMILES notation for (3E)-1-[(E)-prop-1-enyl]cyclododec-3-en-1-ol?
The canonical SMILES for (3E)-1-[(E)-prop-1-enyl]cyclododec-3-en-1-ol is C/C=C/C1(O)C/C=C/CCCCCCCC1.
What is the InChIKey of (3E)-1-[(E)-prop-1-enyl]cyclododec-3-en-1-ol?
The InChIKey is DLAYXZBBOSYIPQ-COCGMRRFSA-N. The full InChI is InChI=1S/C15H26O/c1-2-12-15(16)13-10-8-6-4-3-5-7-9-11-14-15/h2,8,10,12,16H,3-7,9,11,13-14H2,1H3/b10-8+,12-2+.
What are the key properties of (3E)-1-[(E)-prop-1-enyl]cyclododec-3-en-1-ol?
(3E)-1-[(E)-prop-1-enyl]cyclododec-3-en-1-ol has a molecular weight of 222.37 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-[(E)-prop-1-enyl]cyclododec-3-en-1-ol is sourced from PubChem (CID 18348364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).