(2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dien-1-ol

C13H24O — CID 59516406

IUPAC(2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dien-1-ol
SMILESCC[C@H](C)[C@@H](C)/C=C/C/C(C)=C/CO
InChIInChI=1S/C13H24O/c1-5-12(3)13(4)8-6-7-11(2)9-10-14/h6,8-9,12-14H,5,7,10H2,1-4H3/b8-6+,11-9+/t12-,13-/m0/s1
InChIKeyZFSYBAWWEIOJID-MEVLGIROSA-N
MW196.33 g/mol
LogP3.55
Rot. Bonds6

About (2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dien-1-ol

(2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dien-1-ol (PubChem CID 59516406) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dien-1-ol.

Molecular Properties

Compound Name(2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dien-1-ol
PubChem CID59516406
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dien-1-ol
SMILESCC[C@H](C)[C@@H](C)/C=C/C/C(C)=C/CO
InChIInChI=1S/C13H24O/c1-5-12(3)13(4)8-6-7-11(2)9-10-14/h6,8-9,12-14H,5,7,10H2,1-4H3/b8-6+,11-9+/t12-,13-/m0/s1
InChIKeyZFSYBAWWEIOJID-MEVLGIROSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dien-1-ol with MolForge

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Related Compounds

ethyl (2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dienoate;methane;(2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dien-1-ol
CID 158805114
(2E,5E,7S,8S)-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dien-1-ol
CID 86618041
(2E,5E)-3,7-dimethylocta-2,5-dien-1-ol
CID 152758183
(E)-5,6-dimethyloct-3-enoic acid
CID 155168954
(E)-3,5-dimethylhex-2-en-1-ol
CID 13415310
3-methylhepta-2,5-dien-1-ol
CID 167443292
(Z)-N,4,5-trimethylhept-2-en-1-amine
CID 155275180
(2E,5E)-7-ethoxy-3,7-dimethylocta-2,5-dien-1-ol
CID 21079518
(E)-5-hydroxy-3-methylpent-3-enal
CID 88818950
actinium;bis(3-methylhex-2-en-1-ol)
CID 160943648
2,5,6-trimethylocta-2,3-diene
CID 123715918
(2E,5E,8E)-9-(5-ethoxy-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,5,8-trien-1-ol
CID 21425189

Frequently Asked Questions

What is the IUPAC name of (2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dien-1-ol?
The IUPAC name of (2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dien-1-ol (CID 59516406) is (2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dien-1-ol.
What is the SMILES notation for (2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dien-1-ol?
The canonical SMILES for (2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dien-1-ol is CC[C@H](C)[C@@H](C)/C=C/C/C(C)=C/CO.
What is the InChIKey of (2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dien-1-ol?
The InChIKey is ZFSYBAWWEIOJID-MEVLGIROSA-N. The full InChI is InChI=1S/C13H24O/c1-5-12(3)13(4)8-6-7-11(2)9-10-14/h6,8-9,12-14H,5,7,10H2,1-4H3/b8-6+,11-9+/t12-,13-/m0/s1.
What are the key properties of (2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dien-1-ol?
(2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dien-1-ol has a molecular weight of 196.33 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dien-1-ol is sourced from PubChem (CID 59516406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).