(3R,4R)-3-methyloct-1-en-4-ol

C9H18O — CID 13087267

IUPAC(3R,4R)-3-methyloct-1-en-4-ol
SMILESC=C[C@@H](C)[C@H](O)CCCC
InChIInChI=1S/C9H18O/c1-4-6-7-9(10)8(3)5-2/h5,8-10H,2,4,6-7H2,1,3H3/t8-,9-/m1/s1
InChIKeyQSKQFXZUFFAUES-RKDXNWHRSA-N
MW142.24 g/mol
LogP2.36
Rot. Bonds5

About (3R,4R)-3-methyloct-1-en-4-ol

(3R,4R)-3-methyloct-1-en-4-ol (PubChem CID 13087267) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (3R,4R)-3-methyloct-1-en-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-methyloct-1-en-4-ol
PubChem CID13087267
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(3R,4R)-3-methyloct-1-en-4-ol
SMILESC=C[C@@H](C)[C@H](O)CCCC
InChIInChI=1S/C9H18O/c1-4-6-7-9(10)8(3)5-2/h5,8-10H,2,4,6-7H2,1,3H3/t8-,9-/m1/s1
InChIKeyQSKQFXZUFFAUES-RKDXNWHRSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.36
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

(3S,4R)-3-methylundec-1-en-4-ol
CID 10986975
(5R,6S)-dec-1-ene-5,6-diol
CID 10511398
(3S,4R)-3-methyloct-1-en-4-amine
CID 134994572
(5R,6R)-dec-1-ene-5,6-diol
CID 10844929
(2S,3R)-3-hydroxy-2-methyloctanal
CID 134965378
(3R,4S,5R)-3,5-dimethyltridec-1-en-4-ol
CID 24854557
3-hydroxy-2-methyldecanal
CID 87290911
(3R)-2-nitroheptan-3-ol
CID 57225952
3-deuteriooct-1-en-3-ol
CID 91592547
(3S,4S)-octane-3,4-diol
CID 132990515
(3S,5R,6R)-tridec-1-ene-3,5,6-triol
CID 88872101
(2R)-2-phenylheptan-3-ol
CID 91322845

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methyloct-1-en-4-ol?
The IUPAC name of (3R,4R)-3-methyloct-1-en-4-ol (CID 13087267) is (3R,4R)-3-methyloct-1-en-4-ol.
What is the SMILES notation for (3R,4R)-3-methyloct-1-en-4-ol?
The canonical SMILES for (3R,4R)-3-methyloct-1-en-4-ol is C=C[C@@H](C)[C@H](O)CCCC.
What is the InChIKey of (3R,4R)-3-methyloct-1-en-4-ol?
The InChIKey is QSKQFXZUFFAUES-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H18O/c1-4-6-7-9(10)8(3)5-2/h5,8-10H,2,4,6-7H2,1,3H3/t8-,9-/m1/s1.
What are the key properties of (3R,4R)-3-methyloct-1-en-4-ol?
(3R,4R)-3-methyloct-1-en-4-ol has a molecular weight of 142.24 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methyloct-1-en-4-ol is sourced from PubChem (CID 13087267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).