(3R,4E,7R)-4-ethylidene-7-methylnonan-3-ol

C12H24O — CID 88943325

IUPAC(3R,4E,7R)-4-ethylidene-7-methylnonan-3-ol
SMILESC/C=C(\CC[C@H](C)CC)[C@H](O)CC
InChIInChI=1S/C12H24O/c1-5-10(4)8-9-11(6-2)12(13)7-3/h6,10,12-13H,5,7-9H2,1-4H3/b11-6+/t10-,12-/m1/s1
InChIKeyMMMFKGCNDCZDLB-XXYKJJJTSA-N
MW184.32 g/mol
LogP3.53
Rot. Bonds6

About (3R,4E,7R)-4-ethylidene-7-methylnonan-3-ol

(3R,4E,7R)-4-ethylidene-7-methylnonan-3-ol (PubChem CID 88943325) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is (3R,4E,7R)-4-ethylidene-7-methylnonan-3-ol.

Molecular Properties

Compound Name(3R,4E,7R)-4-ethylidene-7-methylnonan-3-ol
PubChem CID88943325
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name(3R,4E,7R)-4-ethylidene-7-methylnonan-3-ol
SMILESC/C=C(\CC[C@H](C)CC)[C@H](O)CC
InChIInChI=1S/C12H24O/c1-5-10(4)8-9-11(6-2)12(13)7-3/h6,10,12-13H,5,7-9H2,1-4H3/b11-6+/t10-,12-/m1/s1
InChIKeyMMMFKGCNDCZDLB-XXYKJJJTSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-7-methylnon-2-en-3-amine
CID 171817711
N-(5-methylheptan-2-ylidene)hydroxylamine
CID 139940320
8-methyldecane-4,5-dione
CID 141348222
3-hydroxy-6-methyloctan-2-one
CID 87292065
(3R,7R)-3,7-dimethylnonane
CID 42626759
2-ethyl-5-methylheptane-1,1-diol
CID 141178551
(Z)-but-2-ene;3-methylheptane
CID 155572467
7-methylnonan-3-ol
CID 64515833
2-ethylidenepentane-1,1-diol
CID 174458356
2-hydroxypropyl 4-methylhexanoate
CID 21247511
N-(hydroxymethyl)-4-methylhexanamide
CID 88779870
bromo 4-methylhexanoate
CID 174730777

Frequently Asked Questions

What is the IUPAC name of (3R,4E,7R)-4-ethylidene-7-methylnonan-3-ol?
The IUPAC name of (3R,4E,7R)-4-ethylidene-7-methylnonan-3-ol (CID 88943325) is (3R,4E,7R)-4-ethylidene-7-methylnonan-3-ol.
What is the SMILES notation for (3R,4E,7R)-4-ethylidene-7-methylnonan-3-ol?
The canonical SMILES for (3R,4E,7R)-4-ethylidene-7-methylnonan-3-ol is C/C=C(\CC[C@H](C)CC)[C@H](O)CC.
What is the InChIKey of (3R,4E,7R)-4-ethylidene-7-methylnonan-3-ol?
The InChIKey is MMMFKGCNDCZDLB-XXYKJJJTSA-N. The full InChI is InChI=1S/C12H24O/c1-5-10(4)8-9-11(6-2)12(13)7-3/h6,10,12-13H,5,7-9H2,1-4H3/b11-6+/t10-,12-/m1/s1.
What are the key properties of (3R,4E,7R)-4-ethylidene-7-methylnonan-3-ol?
(3R,4E,7R)-4-ethylidene-7-methylnonan-3-ol has a molecular weight of 184.32 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4E,7R)-4-ethylidene-7-methylnonan-3-ol is sourced from PubChem (CID 88943325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).