4-iodo-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol

C10H17IO — CID 72796713

IUPAC4-iodo-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
SMILESCC1(O)CC2C(CC1I)C2(C)C
InChIInChI=1S/C10H17IO/c1-9(2)6-4-8(11)10(3,12)5-7(6)9/h6-8,12H,4-5H2,1-3H3
InChIKeyZVVCCBVTDPNPCA-UHFFFAOYSA-N
MW280.15 g/mol
LogP2.61
Rot. Bonds

About 4-iodo-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol

4-iodo-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol (PubChem CID 72796713) has the molecular formula C10H17IO and a molecular weight of 280.15 g/mol. Its IUPAC name is 4-iodo-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol.

Molecular Properties

Compound Name4-iodo-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
PubChem CID72796713
Molecular FormulaC10H17IO
Molecular Weight280.15 g/mol
Exact Mass280.03
IUPAC Name4-iodo-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
SMILESCC1(O)CC2C(CC1I)C2(C)C
InChIInChI=1S/C10H17IO/c1-9(2)6-4-8(11)10(3,12)5-7(6)9/h6-8,12H,4-5H2,1-3H3
InChIKeyZVVCCBVTDPNPCA-UHFFFAOYSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,6R)-4-methoxy-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 59057770
(4-iodo-3,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl) acetate
CID 102375217
(1S,3R,4S,6R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane-3,4-diol
CID 23268227
(1S,3S,4R,6R)-3,7,7-trimethyl-4-trimethylsilyloxybicyclo[4.1.0]heptan-3-ol
CID 11139315
(1S,3S,4S,6R)-4-ethylsulfanyl-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 7076969
(1S,3S,5R,7R)-8-bromo-1,4,4-trimethyltricyclo[5.1.0.03,5]octane
CID 134888977
(1S,3R,4R,6R)-4-[2-(diethylamino)ethoxy]-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 3073844
(11S,14S)-3-methylpentacyclo[7.6.2.04,6.011,17.014,16]heptadecan-3-ol
CID 163869940
3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 155663554
(1R,3S,6S)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 171591004
3,4-dibromo-3,7,7-trimethylbicyclo[4.1.0]heptane
CID 13148708
(1R,3R,5R,7R)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane
CID 98083759

Frequently Asked Questions

What is the IUPAC name of 4-iodo-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol?
The IUPAC name of 4-iodo-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol (CID 72796713) is 4-iodo-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol.
What is the SMILES notation for 4-iodo-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol?
The canonical SMILES for 4-iodo-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol is CC1(O)CC2C(CC1I)C2(C)C.
What is the InChIKey of 4-iodo-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol?
The InChIKey is ZVVCCBVTDPNPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IO/c1-9(2)6-4-8(11)10(3,12)5-7(6)9/h6-8,12H,4-5H2,1-3H3.
What are the key properties of 4-iodo-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol?
4-iodo-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol has a molecular weight of 280.15 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol is sourced from PubChem (CID 72796713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).