(4R,7S)-4,7-dimethyldeca-1,9-diene-4,7-diol

C12H22O2 — CID 92533073

IUPAC(4R,7S)-4,7-dimethyldeca-1,9-diene-4,7-diol
SMILESC=CC[C@](C)(O)CC[C@](C)(O)CC=C
InChIInChI=1S/C12H22O2/c1-5-7-11(3,13)9-10-12(4,14)8-6-2/h5-6,13-14H,1-2,7-10H2,3-4H3/t11-,12+
InChIKeySUGURHSYSLGELB-TXEJJXNPSA-N
MW198.31 g/mol
LogP2.42
Rot. Bonds7

About (4R,7S)-4,7-dimethyldeca-1,9-diene-4,7-diol

(4R,7S)-4,7-dimethyldeca-1,9-diene-4,7-diol (PubChem CID 92533073) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (4R,7S)-4,7-dimethyldeca-1,9-diene-4,7-diol.

Molecular Properties

Compound Name(4R,7S)-4,7-dimethyldeca-1,9-diene-4,7-diol
PubChem CID92533073
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(4R,7S)-4,7-dimethyldeca-1,9-diene-4,7-diol
SMILESC=CC[C@](C)(O)CC[C@](C)(O)CC=C
InChIInChI=1S/C12H22O2/c1-5-7-11(3,13)9-10-12(4,14)8-6-2/h5-6,13-14H,1-2,7-10H2,3-4H3/t11-,12+
InChIKeySUGURHSYSLGELB-TXEJJXNPSA-N
XLogP2.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-methylhept-6-ene-1,4-diol
CID 10464446
1-amino-2-methylpent-4-en-2-ol;hydrochloride
CID 134542347
2-methyl-1-methylsulfanylpent-4-en-2-ol
CID 13218065
4,7-dimethylocta-1,6-dien-4-ol
CID 537672
4-methylnon-1-en-8-yn-4-ol
CID 102177580
1-ethoxy-2-methylpent-4-en-2-ol
CID 71384768
(3S)-3-methylhexa-1,5-dien-3-ol
CID 11564468
2,5-dihydroxy-5-methyloct-7-en-3-one
CID 87378107
2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol
CID 23007820
4,7-dimethyldeca-1,9-diene-4,7-diamine
CID 10774290
4-amino-3-methylhept-6-ene-2,3,4-triol
CID 87816795
4-methyl-4-propylhept-1-ene
CID 139926982

Frequently Asked Questions

What is the IUPAC name of (4R,7S)-4,7-dimethyldeca-1,9-diene-4,7-diol?
The IUPAC name of (4R,7S)-4,7-dimethyldeca-1,9-diene-4,7-diol (CID 92533073) is (4R,7S)-4,7-dimethyldeca-1,9-diene-4,7-diol.
What is the SMILES notation for (4R,7S)-4,7-dimethyldeca-1,9-diene-4,7-diol?
The canonical SMILES for (4R,7S)-4,7-dimethyldeca-1,9-diene-4,7-diol is C=CC[C@](C)(O)CC[C@](C)(O)CC=C.
What is the InChIKey of (4R,7S)-4,7-dimethyldeca-1,9-diene-4,7-diol?
The InChIKey is SUGURHSYSLGELB-TXEJJXNPSA-N. The full InChI is InChI=1S/C12H22O2/c1-5-7-11(3,13)9-10-12(4,14)8-6-2/h5-6,13-14H,1-2,7-10H2,3-4H3/t11-,12+.
What are the key properties of (4R,7S)-4,7-dimethyldeca-1,9-diene-4,7-diol?
(4R,7S)-4,7-dimethyldeca-1,9-diene-4,7-diol has a molecular weight of 198.31 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7S)-4,7-dimethyldeca-1,9-diene-4,7-diol is sourced from PubChem (CID 92533073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).